2-(cyclopropanecarbonylamino)-N-[5-(1-methylpyrrol-3-yl)-3-pyridinyl]pyridine-4-carboxamide

C20H19N5O2 — CID 118065419

IUPAC2-(cyclopropanecarbonylamino)-N-[5-(1-methylpyrrol-3-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCn1ccc(-c2cncc(NC(=O)c3ccnc(NC(=O)C4CC4)c3)c2)c1
InChIInChI=1S/C20H19N5O2/c1-25-7-5-15(12-25)16-8-17(11-21-10-16)23-20(27)14-4-6-22-18(9-14)24-19(26)13-2-3-13/h4-13H,2-3H2,1H3,(H,23,27)(H,22,24,26)
InChIKeyIQMFQGCKUKVYRG-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.08
Rot. Bonds5

About 2-(cyclopropanecarbonylamino)-N-[5-(1-methylpyrrol-3-yl)-3-pyridinyl]pyridine-4-carboxamide

2-(cyclopropanecarbonylamino)-N-[5-(1-methylpyrrol-3-yl)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 118065419) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-[5-(1-methylpyrrol-3-yl)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-[5-(1-methylpyrrol-3-yl)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID118065419
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-(cyclopropanecarbonylamino)-N-[5-(1-methylpyrrol-3-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCn1ccc(-c2cncc(NC(=O)c3ccnc(NC(=O)C4CC4)c3)c2)c1
InChIInChI=1S/C20H19N5O2/c1-25-7-5-15(12-25)16-8-17(11-21-10-16)23-20(27)14-4-6-22-18(9-14)24-19(26)13-2-3-13/h4-13H,2-3H2,1H3,(H,23,27)(H,22,24,26)
InChIKeyIQMFQGCKUKVYRG-UHFFFAOYSA-N
XLogP3.08
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropanecarbonylamino)-N-[5-(2,5-dimethylthiophen-3-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 118064448
2-(cyclopropanecarbonylamino)-N-(1-methylimidazol-4-yl)pyridine-4-carboxamide
CID 118065444
2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 118071000
2-(cyclopropanecarbonylamino)-N-quinolin-3-ylpyridine-4-carboxamide
CID 118071036
N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-4-carboxamide
CID 118071052
2-(cyclopropanecarbonylamino)-N-[5-(5,6-difluoro-3,4-dihydropyridin-4-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 144842707
2-[[cyclopropyl(hydroxy)methyl]amino]-N-[5-(2-propan-2-ylphenyl)-3-pyridinyl]pyridine-4-carboxamide
CID 144842708
2-(cyclopropanecarbonylamino)-N-(4-methoxy-2-methylphenyl)pyridine-4-carboxamide
CID 136541919
N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide
CID 168930595
N-(2-amino-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 155516197
2-(cyclopropanecarbonylamino)-N-[4-(cyclopropylmethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 118070965
2-N-cyclopropyl-4-N-[5-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide
CID 141452929

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-[5-(1-methylpyrrol-3-yl)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-[5-(1-methylpyrrol-3-yl)-3-pyridinyl]pyridine-4-carboxamide (CID 118065419) is 2-(cyclopropanecarbonylamino)-N-[5-(1-methylpyrrol-3-yl)-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-[5-(1-methylpyrrol-3-yl)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-[5-(1-methylpyrrol-3-yl)-3-pyridinyl]pyridine-4-carboxamide is Cn1ccc(-c2cncc(NC(=O)c3ccnc(NC(=O)C4CC4)c3)c2)c1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-[5-(1-methylpyrrol-3-yl)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is IQMFQGCKUKVYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-25-7-5-15(12-25)16-8-17(11-21-10-16)23-20(27)14-4-6-22-18(9-14)24-19(26)13-2-3-13/h4-13H,2-3H2,1H3,(H,23,27)(H,22,24,26).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-[5-(1-methylpyrrol-3-yl)-3-pyridinyl]pyridine-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-[5-(1-methylpyrrol-3-yl)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-[5-(1-methylpyrrol-3-yl)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 118065419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).