2-(cyclopropanecarbonylamino)-N-[5-(2,5-dimethylthiophen-3-yl)-3-pyridinyl]pyridine-4-carboxamide

C21H20N4O2S — CID 118064448

IUPAC2-(cyclopropanecarbonylamino)-N-[5-(2,5-dimethylthiophen-3-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1cc(-c2cncc(NC(=O)c3ccnc(NC(=O)C4CC4)c3)c2)c(C)s1
InChIInChI=1S/C21H20N4O2S/c1-12-7-18(13(2)28-12)16-8-17(11-22-10-16)24-21(27)15-5-6-23-19(9-15)25-20(26)14-3-4-14/h5-11,14H,3-4H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyXIJFOXDCLRWEKX-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.42
Rot. Bonds5

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

2-(cyclopropanecarbonylamino)-N-[5-(2,5-dimethylthiophen-3-yl)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 118064448) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-[5-(2,5-dimethylthiophen-3-yl)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-[5-(2,5-dimethylthiophen-3-yl)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID118064448
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name2-(cyclopropanecarbonylamino)-N-[5-(2,5-dimethylthiophen-3-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1cc(-c2cncc(NC(=O)c3ccnc(NC(=O)C4CC4)c3)c2)c(C)s1
InChIInChI=1S/C21H20N4O2S/c1-12-7-18(13(2)28-12)16-8-17(11-22-10-16)24-21(27)15-5-6-23-19(9-15)25-20(26)14-3-4-14/h5-11,14H,3-4H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyXIJFOXDCLRWEKX-UHFFFAOYSA-N
XLogP4.42
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropanecarbonylamino)-N-[5-(1-methylpyrrol-3-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 118065419
N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-4-carboxamide
CID 118071052
2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 118071000
2-[[cyclopropyl(hydroxy)methyl]amino]-N-[5-(2-propan-2-ylphenyl)-3-pyridinyl]pyridine-4-carboxamide
CID 144842708
2-(cyclopropanecarbonylamino)-N-quinolin-3-ylpyridine-4-carboxamide
CID 118071036
N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide
CID 168930595
2-(cyclopropanecarbonylamino)-N-[5-(5,6-difluoro-3,4-dihydropyridin-4-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 144842707
2-(cyclopropanecarbonylamino)-N-(1-methylimidazol-4-yl)pyridine-4-carboxamide
CID 118065444
2-(cyclopropanecarbonylamino)-N-(4-methoxy-2-methylphenyl)pyridine-4-carboxamide
CID 136541919
N-[3-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 176572342
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 168930367
N-(2-amino-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 155516197

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-[5-(2,5-dimethylthiophen-3-yl)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-[5-(2,5-dimethylthiophen-3-yl)-3-pyridinyl]pyridine-4-carboxamide (CID 118064448) is 2-(cyclopropanecarbonylamino)-N-[5-(2,5-dimethylthiophen-3-yl)-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-[5-(2,5-dimethylthiophen-3-yl)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-[5-(2,5-dimethylthiophen-3-yl)-3-pyridinyl]pyridine-4-carboxamide is Cc1cc(-c2cncc(NC(=O)c3ccnc(NC(=O)C4CC4)c3)c2)c(C)s1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-[5-(2,5-dimethylthiophen-3-yl)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is XIJFOXDCLRWEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-12-7-18(13(2)28-12)16-8-17(11-22-10-16)24-21(27)15-5-6-23-19(9-15)25-20(26)14-3-4-14/h5-11,14H,3-4H2,1-2H3,(H,24,27)(H,23,25,26).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-[5-(2,5-dimethylthiophen-3-yl)-3-pyridinyl]pyridine-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-[5-(2,5-dimethylthiophen-3-yl)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.42, 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-(2,5-dimethylthiophen-3-yl)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 118064448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).