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

C28H31FN6O3 — CID 16665838

IUPACN-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide
SMILESCON(C(=O)c1cc(NC(=O)c2cc(F)cc(N3CCCC3)c2)cnc1C)c1ccc(N(C)C2CC2)nc1
InChIInChI=1S/C28H31FN6O3/c1-18-25(28(37)35(38-3)23-8-9-26(31-17-23)33(2)22-6-7-22)15-21(16-30-18)32-27(36)19-12-20(29)14-24(13-19)34-10-4-5-11-34/h8-9,12-17,22H,4-7,10-11H2,1-3H3,(H,32,36)
InChIKeyIVUQOAGVLJHNFI-UHFFFAOYSA-N
MW518.59 g/mol
LogP4.58
Rot. Bonds8

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

N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide (PubChem CID 16665838) has the molecular formula C28H31FN6O3 and a molecular weight of 518.59 g/mol. Its IUPAC name is N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide
PubChem CID16665838
Molecular FormulaC28H31FN6O3
Molecular Weight518.59 g/mol
Exact Mass518.24
IUPAC NameN-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide
SMILESCON(C(=O)c1cc(NC(=O)c2cc(F)cc(N3CCCC3)c2)cnc1C)c1ccc(N(C)C2CC2)nc1
InChIInChI=1S/C28H31FN6O3/c1-18-25(28(37)35(38-3)23-8-9-26(31-17-23)33(2)22-6-7-22)15-21(16-30-18)32-27(36)19-12-20(29)14-24(13-19)34-10-4-5-11-34/h8-9,12-17,22H,4-7,10-11H2,1-3H3,(H,32,36)
InChIKeyIVUQOAGVLJHNFI-UHFFFAOYSA-N
XLogP4.58
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.59
LogP ≤ 54.58
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-piperidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide
CID 16666005
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
5-[(3-tert-butyl-5-cyanobenzoyl)amino]-N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-2-methylpyridine-3-carboxamide
CID 69034645
N-[6-(cyclopropylmethylamino)-3-pyridinyl]-5-(3-fluoro-5-piperidin-1-ylanilino)-2-methylpyridine-3-carboxamide
CID 69461070
3-fluoro-4-hydroxy-5-methoxy-N-[6-pyrrolidin-1-yl-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 170688004
3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24937200
5-(3-fluoro-5-piperidin-1-ylanilino)-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 69085054
2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-5-[(4-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 95075646
2-(azepan-1-yl)-5-[(3-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094075
4-(3,6-dichloro-2-fluorobenzoyl)-N-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-1H-pyrrole-2-carboxamide
CID 134610530
3-fluoro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 44547575

Frequently Asked Questions

What is the IUPAC name of N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide (CID 16665838) is N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-pyrrolidin-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-pyrrolidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide is CON(C(=O)c1cc(NC(=O)c2cc(F)cc(N3CCCC3)c2)cnc1C)c1ccc(N(C)C2CC2)nc1.
What is the InChIKey of N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide?
The InChIKey is IVUQOAGVLJHNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN6O3/c1-18-25(28(37)35(38-3)23-8-9-26(31-17-23)33(2)22-6-7-22)15-21(16-30-18)32-27(36)19-12-20(29)14-24(13-19)34-10-4-5-11-34/h8-9,12-17,22H,4-7,10-11H2,1-3H3,(H,32,36).
What are the key properties of N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide?
N-[6-[cyclopropyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-pyrrolidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide has a molecular weight of 518.59 g/mol, XLogP of 4.58, 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-pyrrolidin-1-ylbenzoyl)amino]-N-methoxy-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 16665838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).