N-(2-aminoethyl)-N-methylpropanamide;N-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide

C66H93BrN18O5S3 — CID 163697771

About N-(2-aminoethyl)-N-methylpropanamide;N-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide

N-(2-aminoethyl)-N-methylpropanamide;N-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide (PubChem CID 163697771) has the molecular formula C66H93BrN18O5S3 and a molecular weight of 1394.70 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-methylpropanamide;N-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-N-methylpropanamide;N-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide
• PubChem CID: 163697771
• Molecular Formula: C66H93BrN18O5S3
• Molecular Weight: 1394.70 g/mol
• Exact Mass: 1392.59
• IUPAC Name: N-(2-aminoethyl)-N-methylpropanamide;N-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide
• SMILES: CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.CCC(=O)N(C)CCN.CCC(=O)N(C)CCNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.CCC(=O)N(C)CCNc1cc(NC(C)(C)C)nc2cc(-c3ccnn3C3CCCCO3)sc12
• InChI: InChI=1S/C25H36N6O2S.C19H23BrN4OS.C16H20N6OS.C6H14N2O/c1-6-22(32)30(5)13-12-26-17-16-21(29-25(2,3)4)28-18-15-20(34-24(17)18)19-10-11-27-31(19)23-9-7-8-14-33-23;1-19(2,3)23-16-10-12(20)18-13(22-16)11-15(26-18)14-7-8-21-24(14)17-6-4-5-9-25-17;1-3-15(23)22(2)7-6-18-11-9-14(17)20-12-8-13(24-16(11)12)10-4-5-19-21-10;1-3-6(9)8(2)5-4-7/h10-11,15-16,23H,6-9,12-14H2,1-5H3,(H2,26,28,29);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);4-5,8-9H,3,6-7H2,1-2H3,(H,19,21)(H3,17,18,20);3-5,7H2,1-2H3
• InChIKey: JYJKBXVFCNDWKO-UHFFFAOYSA-N
• XLogP: 13.54
• TPSA: 282.54 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1394.70
LogP ≤ 5	13.54
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-methylpropanamide;N-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide?

The IUPAC name of N-(2-aminoethyl)-N-methylpropanamide;N-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide (CID 163697771) is N-(2-aminoethyl)-N-methylpropanamide;N-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide.

What is the SMILES notation for N-(2-aminoethyl)-N-methylpropanamide;N-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide?

The canonical SMILES for N-(2-aminoethyl)-N-methylpropanamide;N-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide is CC(C)(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.CCC(=O)N(C)CCN.CCC(=O)N(C)CCNc1cc(N)nc2cc(-c3ccn[nH]3)sc12.CCC(=O)N(C)CCNc1cc(NC(C)(C)C)nc2cc(-c3ccnn3C3CCCCO3)sc12.

What is the InChIKey of N-(2-aminoethyl)-N-methylpropanamide;N-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide?

The InChIKey is JYJKBXVFCNDWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O2S.C19H23BrN4OS.C16H20N6OS.C6H14N2O/c1-6-22(32)30(5)13-12-26-17-16-21(29-25(2,3)4)28-18-15-20(34-24(17)18)19-10-11-27-31(19)23-9-7-8-14-33-23;1-19(2,3)23-16-10-12(20)18-13(22-16)11-15(26-18)14-7-8-21-24(14)17-6-4-5-9-25-17;1-3-15(23)22(2)7-6-18-11-9-14(17)20-12-8-13(24-16(11)12)10-4-5-19-21-10;1-3-6(9)8(2)5-4-7/h10-11,15-16,23H,6-9,12-14H2,1-5H3,(H2,26,28,29);7-8,10-11,17H,4-6,9H2,1-3H3,(H,22,23);4-5,8-9H,3,6-7H2,1-2H3,(H,19,21)(H3,17,18,20);3-5,7H2,1-2H3.

What are the key properties of N-(2-aminoethyl)-N-methylpropanamide;N-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide?

N-(2-aminoethyl)-N-methylpropanamide;N-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide has a molecular weight of 1394.70 g/mol, XLogP of 13.54, 20 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-N-methylpropanamide;N-[2-[[5-amino-2-(1H-pyrazol-5-yl)thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide;7-bromo-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-5-amine;N-[2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]-N-methylpropanamide is sourced from PubChem (CID 163697771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).