2-bromopyridine-4-carboxylic acid;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-butylmorpholine;N-methyl-3-morpholin-4-ylpropan-1-amine;3-morpholin-4-ylpropan-1-amine;2-(2-nitro-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine

C82H111Br2N13O9 — CID 160697077

About 2-bromopyridine-4-carboxylic acid;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-butylmorpholine;N-methyl-3-morpholin-4-ylpropan-1-amine;3-morpholin-4-ylpropan-1-amine;2-(2-nitro-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine

2-bromopyridine-4-carboxylic acid;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-butylmorpholine;N-methyl-3-morpholin-4-ylpropan-1-amine;3-morpholin-4-ylpropan-1-amine;2-(2-nitro-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 160697077) has the molecular formula C82H111Br2N13O9 and a molecular weight of 1582.68 g/mol. Its IUPAC name is 2-bromopyridine-4-carboxylic acid;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-butylmorpholine;N-methyl-3-morpholin-4-ylpropan-1-amine;3-morpholin-4-ylpropan-1-amine;2-(2-nitro-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

• Compound Name: 2-bromopyridine-4-carboxylic acid;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-butylmorpholine;N-methyl-3-morpholin-4-ylpropan-1-amine;3-morpholin-4-ylpropan-1-amine;2-(2-nitro-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine
• PubChem CID: 160697077
• Molecular Formula: C82H111Br2N13O9
• Molecular Weight: 1582.68 g/mol
• Exact Mass: 1579.70
• IUPAC Name: 2-bromopyridine-4-carboxylic acid;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-butylmorpholine;N-methyl-3-morpholin-4-ylpropan-1-amine;3-morpholin-4-ylpropan-1-amine;2-(2-nitro-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine
• SMILES: CCCCN1CCOCC1.CNCCCN1CCOCC1.NCCCN1CCOCC1.N[C@H]1CCCc2ccccc21.O=C(N[C@H]1CCCc2ccccc21)c1ccnc(-c2cc(N3CCCCC3)ccc2[N+](=O)[O-])c1.O=C(N[C@H]1CCCc2ccccc21)c1ccnc(Br)c1.O=C(O)c1ccnc(Br)c1
• InChI: InChI=1S/C27H28N4O3.C16H15BrN2O.C10H13N.C8H18N2O.C8H17NO.C7H16N2O.C6H4BrNO2/c32-27(29-24-10-6-8-19-7-2-3-9-22(19)24)20-13-14-28-25(17-20)23-18-21(11-12-26(23)31(33)34)30-15-4-1-5-16-30;17-15-10-12(8-9-18-15)16(20)19-14-7-3-5-11-4-1-2-6-13(11)14;11-10-7-3-5-8-4-1-2-6-9(8)10;1-9-3-2-4-10-5-7-11-8-6-10;1-2-3-4-9-5-7-10-8-6-9;8-2-1-3-9-4-6-10-7-5-9;7-5-3-4(6(9)10)1-2-8-5/h2-3,7,9,11-14,17-18,24H,1,4-6,8,10,15-16H2,(H,29,32);1-2,4,6,8-10,14H,3,5,7H2,(H,19,20);1-2,4,6,10H,3,5,7,11H2;9H,2-8H2,1H3;2-8H2,1H3;1-8H2;1-3H,(H,9,10)/t24-;14-;10-;;;;/m000..../s1
• InChIKey: RQDDIXWFNDHBAY-MSAXUZLPSA-N
• XLogP: 13.39
• TPSA: 282.03 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1582.68
LogP ≤ 5	13.39
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromopyridine-4-carboxylic acid;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-butylmorpholine;N-methyl-3-morpholin-4-ylpropan-1-amine;3-morpholin-4-ylpropan-1-amine;2-(2-nitro-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine?

The IUPAC name of 2-bromopyridine-4-carboxylic acid;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-butylmorpholine;N-methyl-3-morpholin-4-ylpropan-1-amine;3-morpholin-4-ylpropan-1-amine;2-(2-nitro-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 160697077) is 2-bromopyridine-4-carboxylic acid;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-butylmorpholine;N-methyl-3-morpholin-4-ylpropan-1-amine;3-morpholin-4-ylpropan-1-amine;2-(2-nitro-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine.

What is the SMILES notation for 2-bromopyridine-4-carboxylic acid;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-butylmorpholine;N-methyl-3-morpholin-4-ylpropan-1-amine;3-morpholin-4-ylpropan-1-amine;2-(2-nitro-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine?

The canonical SMILES for 2-bromopyridine-4-carboxylic acid;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-butylmorpholine;N-methyl-3-morpholin-4-ylpropan-1-amine;3-morpholin-4-ylpropan-1-amine;2-(2-nitro-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine is CCCCN1CCOCC1.CNCCCN1CCOCC1.NCCCN1CCOCC1.N[C@H]1CCCc2ccccc21.O=C(N[C@H]1CCCc2ccccc21)c1ccnc(-c2cc(N3CCCCC3)ccc2[N+](=O)[O-])c1.O=C(N[C@H]1CCCc2ccccc21)c1ccnc(Br)c1.O=C(O)c1ccnc(Br)c1.

What is the InChIKey of 2-bromopyridine-4-carboxylic acid;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-butylmorpholine;N-methyl-3-morpholin-4-ylpropan-1-amine;3-morpholin-4-ylpropan-1-amine;2-(2-nitro-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine?

The InChIKey is RQDDIXWFNDHBAY-MSAXUZLPSA-N. The full InChI is InChI=1S/C27H28N4O3.C16H15BrN2O.C10H13N.C8H18N2O.C8H17NO.C7H16N2O.C6H4BrNO2/c32-27(29-24-10-6-8-19-7-2-3-9-22(19)24)20-13-14-28-25(17-20)23-18-21(11-12-26(23)31(33)34)30-15-4-1-5-16-30;17-15-10-12(8-9-18-15)16(20)19-14-7-3-5-11-4-1-2-6-13(11)14;11-10-7-3-5-8-4-1-2-6-9(8)10;1-9-3-2-4-10-5-7-11-8-6-10;1-2-3-4-9-5-7-10-8-6-9;8-2-1-3-9-4-6-10-7-5-9;7-5-3-4(6(9)10)1-2-8-5/h2-3,7,9,11-14,17-18,24H,1,4-6,8,10,15-16H2,(H,29,32);1-2,4,6,8-10,14H,3,5,7H2,(H,19,20);1-2,4,6,10H,3,5,7,11H2;9H,2-8H2,1H3;2-8H2,1H3;1-8H2;1-3H,(H,9,10)/t24-;14-;10-;;;;/m000..../s1.

What are the key properties of 2-bromopyridine-4-carboxylic acid;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-butylmorpholine;N-methyl-3-morpholin-4-ylpropan-1-amine;3-morpholin-4-ylpropan-1-amine;2-(2-nitro-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine?

2-bromopyridine-4-carboxylic acid;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-butylmorpholine;N-methyl-3-morpholin-4-ylpropan-1-amine;3-morpholin-4-ylpropan-1-amine;2-(2-nitro-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 1582.68 g/mol, XLogP of 13.39, 18 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromopyridine-4-carboxylic acid;2-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;4-butylmorpholine;N-methyl-3-morpholin-4-ylpropan-1-amine;3-morpholin-4-ylpropan-1-amine;2-(2-nitro-5-piperidin-1-ylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide;(1S)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 160697077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).