6-(cyclopropanecarbonylamino)-4-[4-(cyclopropylmethoxy)-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide

C23H29N5O6S — CID 167101417

IUPAC6-(cyclopropanecarbonylamino)-4-[4-(cyclopropylmethoxy)-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
SMILESCONC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1ccc(OCC2CC2)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C23H29N5O6S/c1-28(35(3,31)32)20-10-16(34-13-14-4-5-14)8-9-18(20)25-19-11-21(26-22(29)15-6-7-15)24-12-17(19)23(30)27-33-2/h8-12,14-15H,4-7,13H2,1-3H3,(H,27,30)(H2,24,25,26,29)
InChIKeyVOIYCBAEEUDDLV-UHFFFAOYSA-N
MW503.58 g/mol
LogP2.65
Rot. Bonds11

About 6-(cyclopropanecarbonylamino)-4-[4-(cyclopropylmethoxy)-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[4-(cyclopropylmethoxy)-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide (PubChem CID 167101417) has the molecular formula C23H29N5O6S and a molecular weight of 503.58 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[4-(cyclopropylmethoxy)-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[4-(cyclopropylmethoxy)-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
PubChem CID167101417
Molecular FormulaC23H29N5O6S
Molecular Weight503.58 g/mol
Exact Mass503.18
IUPAC Name6-(cyclopropanecarbonylamino)-4-[4-(cyclopropylmethoxy)-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
SMILESCONC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1ccc(OCC2CC2)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C23H29N5O6S/c1-28(35(3,31)32)20-10-16(34-13-14-4-5-14)8-9-18(20)25-19-11-21(26-22(29)15-6-7-15)24-12-17(19)23(30)27-33-2/h8-12,14-15H,4-7,13H2,1-3H3,(H,27,30)(H2,24,25,26,29)
InChIKeyVOIYCBAEEUDDLV-UHFFFAOYSA-N
XLogP2.65
TPSA138.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-3-carboxamide
CID 167101479
6-(cyclopropanecarbonylamino)-4-[4-fluoro-2-[methyl(methylsulfanyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 170281274
6-[(5-cyano-2-pyridinyl)amino]-4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 163387276
6-(cyclopropanecarbonylamino)-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]-3-(1-methylpyrazol-4-yl)anilino]pyridine-3-carboxamide
CID 167101121
6-chloro-4-[4-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide
CID 163387290
2-N-cyclopropyl-5-N-methoxy-4-[2-[methyl(methylsulfonyl)amino]anilino]pyridine-2,5-dicarboxamide
CID 163387605
4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxy-6-[(6-methyl-3-pyridinyl)amino]pyridine-3-carboxamide
CID 163387672
4-[4-cyclopropyl-5-fluoro-2-[methyl(methylsulfonyl)amino]anilino]-6-[(3,3-difluoroazetidine-1-carbonyl)amino]-N-ethoxypyridine-3-carboxamide
CID 167101512
4-[4-cyclopropyl-2-[methyl(methylsulfonyl)amino]anilino]-N-ethoxy-6-[(6-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
CID 163387509
6-(cyclopropanecarbonylamino)-N-methoxy-4-[[2-oxo-1-(1,3-thiazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
CID 170164285
N-ethoxy-4-[4-ethynyl-2-[methyl(methylsulfonyl)amino]anilino]-6-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
CID 167101509
4-[2-cyano-3-(1-methylpyrazol-4-yl)anilino]-6-(cyclopropanecarbonylamino)-N-methoxypyridine-3-carboxamide
CID 167101353

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[4-(cyclopropylmethoxy)-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[4-(cyclopropylmethoxy)-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide (CID 167101417) is 6-(cyclopropanecarbonylamino)-4-[4-(cyclopropylmethoxy)-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[4-(cyclopropylmethoxy)-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[4-(cyclopropylmethoxy)-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide is CONC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1ccc(OCC2CC2)cc1N(C)S(C)(=O)=O.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[4-(cyclopropylmethoxy)-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide?
The InChIKey is VOIYCBAEEUDDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O6S/c1-28(35(3,31)32)20-10-16(34-13-14-4-5-14)8-9-18(20)25-19-11-21(26-22(29)15-6-7-15)24-12-17(19)23(30)27-33-2/h8-12,14-15H,4-7,13H2,1-3H3,(H,27,30)(H2,24,25,26,29).
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[4-(cyclopropylmethoxy)-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[4-(cyclopropylmethoxy)-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide has a molecular weight of 503.58 g/mol, XLogP of 2.65, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[4-(cyclopropylmethoxy)-2-[methyl(methylsulfonyl)amino]anilino]-N-methoxypyridine-3-carboxamide is sourced from PubChem (CID 167101417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).