N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide

C29H33FN6O3 — CID 16666005

IUPACN-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide
SMILESCON(C(=O)c1cc(NC(=O)c2cc(F)cc(N3CCCCC3)c2)cnc1C)c1ccc(N(C)C2CC2)nc1
InChIInChI=1S/C29H33FN6O3/c1-19-26(29(38)36(39-3)24-9-10-27(32-18-24)34(2)23-7-8-23)16-22(17-31-19)33-28(37)20-13-21(30)15-25(14-20)35-11-5-4-6-12-35/h9-10,13-18,23H,4-8,11-12H2,1-3H3,(H,33,37)
InChIKeyQPCJSEFFEDZDKD-UHFFFAOYSA-N
MW532.62 g/mol
LogP4.97
Rot. Bonds8

About N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide

N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide (PubChem CID 16666005) has the molecular formula C29H33FN6O3 and a molecular weight of 532.62 g/mol. Its IUPAC name is N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide
PubChem CID16666005
Molecular FormulaC29H33FN6O3
Molecular Weight532.62 g/mol
Exact Mass532.26
IUPAC NameN-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide
SMILESCON(C(=O)c1cc(NC(=O)c2cc(F)cc(N3CCCCC3)c2)cnc1C)c1ccc(N(C)C2CC2)nc1
InChIInChI=1S/C29H33FN6O3/c1-19-26(29(38)36(39-3)24-9-10-27(32-18-24)34(2)23-7-8-23)16-22(17-31-19)33-28(37)20-13-21(30)15-25(14-20)35-11-5-4-6-12-35/h9-10,13-18,23H,4-8,11-12H2,1-3H3,(H,33,37)
InChIKeyQPCJSEFFEDZDKD-UHFFFAOYSA-N
XLogP4.97
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.62
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide
CID 16665838
N-[6-[cyclohexyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylpyridine-3-carboxamide
CID 16665377
5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methyl-N-[6-(oxan-4-ylmethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 69088455
N-[6-(cyclopropylmethylamino)-3-pyridinyl]-5-(3-fluoro-5-piperidin-1-ylanilino)-2-methylpyridine-3-carboxamide
CID 69461070
5-[(3-tert-butyl-5-cyanobenzoyl)amino]-N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-2-methylpyridine-3-carboxamide
CID 69034645
3-fluoro-4-hydroxy-5-methoxy-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 170688004
5-(3-fluoro-5-piperidin-1-ylanilino)-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 69085054
3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24937200
2-(azepan-1-yl)-5-[(3-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094075
2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-5-[(4-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 95075646
4-(3,6-dichloro-2-fluorobenzoyl)-N-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-1H-pyrrole-2-carboxamide
CID 134610530
3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021056

Frequently Asked Questions

What is the IUPAC name of N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide (CID 16666005) is N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide is CON(C(=O)c1cc(NC(=O)c2cc(F)cc(N3CCCCC3)c2)cnc1C)c1ccc(N(C)C2CC2)nc1.
What is the InChIKey of N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide?
The InChIKey is QPCJSEFFEDZDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN6O3/c1-19-26(29(38)36(39-3)24-9-10-27(32-18-24)34(2)23-7-8-23)16-22(17-31-19)33-28(37)20-13-21(30)15-25(14-20)35-11-5-4-6-12-35/h9-10,13-18,23H,4-8,11-12H2,1-3H3,(H,33,37).
What are the key properties of N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide?
N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide has a molecular weight of 532.62 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 16666005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).