2-(cyclopropanecarbonylamino)-N-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]methyl]pyridine-4-carboxamide

C21H23N3O3 — CID 136582776

IUPAC2-(cyclopropanecarbonylamino)-N-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]methyl]pyridine-4-carboxamide
SMILESCOc1cccc([C@@H]2C[C@H]2CNC(=O)c2ccnc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C21H23N3O3/c1-27-17-4-2-3-14(9-17)18-10-16(18)12-23-20(25)15-7-8-22-19(11-15)24-21(26)13-5-6-13/h2-4,7-9,11,13,16,18H,5-6,10,12H2,1H3,(H,23,25)(H,22,24,26)/t16-,18-/m0/s1
InChIKeyMXHMLKFOIYDVTP-WMZOPIPTSA-N
MW365.43 g/mol
LogP2.97
Rot. Bonds7

About 2-(cyclopropanecarbonylamino)-N-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]methyl]pyridine-4-carboxamide

2-(cyclopropanecarbonylamino)-N-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]methyl]pyridine-4-carboxamide (PubChem CID 136582776) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]methyl]pyridine-4-carboxamide
PubChem CID136582776
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-(cyclopropanecarbonylamino)-N-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]methyl]pyridine-4-carboxamide
SMILESCOc1cccc([C@@H]2C[C@H]2CNC(=O)c2ccnc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C21H23N3O3/c1-27-17-4-2-3-14(9-17)18-10-16(18)12-23-20(25)15-7-8-22-19(11-15)24-21(26)13-5-6-13/h2-4,7-9,11,13,16,18H,5-6,10,12H2,1H3,(H,23,25)(H,22,24,26)/t16-,18-/m0/s1
InChIKeyMXHMLKFOIYDVTP-WMZOPIPTSA-N
XLogP2.97
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropanecarbonylamino)-N-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

2-(cyclopropanecarbonylamino)-N-(4-methoxy-2-methylphenyl)pyridine-4-carboxamide
CID 136541919
N-[4-(6-methoxy-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide
CID 138997436
2-hydrazinyl-N-[(3-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 62237337
2-(cyclopropylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109165237
2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166806
2-(cyclopropanecarbonylamino)-N-[2-(furan-2-carbonylamino)ethyl]pyridine-4-carboxamide
CID 138989560
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide
CID 1452890
2-(carbamothioylamino)-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 167030632
N-[(2-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170757
N-[(2-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 111464372
2-(cyclopropanecarbonylamino)-N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-4-carboxamide
CID 138989575
N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170897

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]methyl]pyridine-4-carboxamide (CID 136582776) is 2-(cyclopropanecarbonylamino)-N-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]methyl]pyridine-4-carboxamide is COc1cccc([C@@H]2C[C@H]2CNC(=O)c2ccnc(NC(=O)C3CC3)c2)c1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]methyl]pyridine-4-carboxamide?
The InChIKey is MXHMLKFOIYDVTP-WMZOPIPTSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-27-17-4-2-3-14(9-17)18-10-16(18)12-23-20(25)15-7-8-22-19(11-15)24-21(26)13-5-6-13/h2-4,7-9,11,13,16,18H,5-6,10,12H2,1H3,(H,23,25)(H,22,24,26)/t16-,18-/m0/s1.
What are the key properties of 2-(cyclopropanecarbonylamino)-N-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]methyl]pyridine-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]methyl]pyridine-4-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 136582776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).