5-chloro-N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]thiophene-2-carboxamide

C26H25ClN4O4S — CID 67308477

IUPAC5-chloro-N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CC2)CC1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C26H25ClN4O4S/c27-22-11-10-21(36-22)25(34)29-20-15-30(26(35)17-4-5-17)14-12-19(20)28-24(33)16-6-8-18(9-7-16)31-13-2-1-3-23(31)32/h1-3,6-11,13,17,19-20H,4-5,12,14-15H2,(H,28,33)(H,29,34)
InChIKeyZGJCMKPLMSIGIK-UHFFFAOYSA-N
MW525.03 g/mol
LogP3.09
Rot. Bonds6

About 5-chloro-N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]thiophene-2-carboxamide

5-chloro-N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]thiophene-2-carboxamide (PubChem CID 67308477) has the molecular formula C26H25ClN4O4S and a molecular weight of 525.03 g/mol. Its IUPAC name is 5-chloro-N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]thiophene-2-carboxamide
PubChem CID67308477
Molecular FormulaC26H25ClN4O4S
Molecular Weight525.03 g/mol
Exact Mass524.13
IUPAC Name5-chloro-N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CC2)CC1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C26H25ClN4O4S/c27-22-11-10-21(36-22)25(34)29-20-15-30(26(35)17-4-5-17)14-12-19(20)28-24(33)16-6-8-18(9-7-16)31-13-2-1-3-23(31)32/h1-3,6-11,13,17,19-20H,4-5,12,14-15H2,(H,28,33)(H,29,34)
InChIKeyZGJCMKPLMSIGIK-UHFFFAOYSA-N
XLogP3.09
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.03
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-1-acetyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidin-3-yl]-5-chlorothiophene-2-carboxamide
CID 58845319
N-[(3S,4R)-4-amino-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-(2-oxo-1-pyridinyl)benzamide
CID 58845419
N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide
CID 67307371
N-[(3R,4S)-1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide
CID 58845376
5-chloro-N-[(1R,2S,4S)-4-(methoxymethyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide
CID 69441318
(3R,4S)-1-acetyl-4-[(5-chlorothiophene-2-carbonyl)amino]-N-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-3-carboxamide
CID 18453015
5-chloro-N-[(1R,2S)-2-[[4-(2-oxopyrazin-1-yl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide;sulfane
CID 169424051
5-chloro-N-[(1R,2S)-2-[[3-methyl-4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide
CID 11465236
5-chloro-N-[(3R,4S)-1-methyl-4-[[4-(2-oxopyrazin-1-yl)benzoyl]amino]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 159112847
N-[2-[(4-chlorobenzoyl)amino]cyclopentyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 75027304
5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 58748157
5-chloro-N-[(1R,2S,4S)-4-(2-morpholin-4-ylethoxymethyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide
CID 69438315

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]thiophene-2-carboxamide (CID 67308477) is 5-chloro-N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]thiophene-2-carboxamide is O=C(NC1CCN(C(=O)C2CC2)CC1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of 5-chloro-N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]thiophene-2-carboxamide?
The InChIKey is ZGJCMKPLMSIGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O4S/c27-22-11-10-21(36-22)25(34)29-20-15-30(26(35)17-4-5-17)14-12-19(20)28-24(33)16-6-8-18(9-7-16)31-13-2-1-3-23(31)32/h1-3,6-11,13,17,19-20H,4-5,12,14-15H2,(H,28,33)(H,29,34).
What are the key properties of 5-chloro-N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]thiophene-2-carboxamide?
5-chloro-N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]thiophene-2-carboxamide has a molecular weight of 525.03 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 67308477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).