N-[4-[4-[2-cyclopentyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]sulfonylphenyl]-2-pyridinyl]cyclopropanecarboxamide

C32H32N4O7S — CID 154702269

IUPACN-[4-[4-[2-cyclopentyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]sulfonylphenyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCOc1cccc(OC)c1-n1c(C2CCCC2)nc(O)c(S(=O)(=O)c2ccc(-c3ccnc(NC(=O)C4CC4)c3)cc2)c1=O
InChIInChI=1S/C32H32N4O7S/c1-42-24-8-5-9-25(43-2)27(24)36-29(20-6-3-4-7-20)35-31(38)28(32(36)39)44(40,41)23-14-12-19(13-15-23)22-16-17-33-26(18-22)34-30(37)21-10-11-21/h5,8-9,12-18,20-21,38H,3-4,6-7,10-11H2,1-2H3,(H,33,34,37)
InChIKeyDESCMEJHVWTCCD-UHFFFAOYSA-N
MW616.70 g/mol
LogP4.86
Rot. Bonds9

About N-[4-[4-[2-cyclopentyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]sulfonylphenyl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[4-[2-cyclopentyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]sulfonylphenyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 154702269) has the molecular formula C32H32N4O7S and a molecular weight of 616.70 g/mol. Its IUPAC name is N-[4-[4-[2-cyclopentyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]sulfonylphenyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-[2-cyclopentyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]sulfonylphenyl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID154702269
Molecular FormulaC32H32N4O7S
Molecular Weight616.70 g/mol
Exact Mass616.20
IUPAC NameN-[4-[4-[2-cyclopentyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]sulfonylphenyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCOc1cccc(OC)c1-n1c(C2CCCC2)nc(O)c(S(=O)(=O)c2ccc(-c3ccnc(NC(=O)C4CC4)c3)cc2)c1=O
InChIInChI=1S/C32H32N4O7S/c1-42-24-8-5-9-25(43-2)27(24)36-29(20-6-3-4-7-20)35-31(38)28(32(36)39)44(40,41)23-14-12-19(13-15-23)22-16-17-33-26(18-22)34-30(37)21-10-11-21/h5,8-9,12-18,20-21,38H,3-4,6-7,10-11H2,1-2H3,(H,33,34,37)
InChIKeyDESCMEJHVWTCCD-UHFFFAOYSA-N
XLogP4.86
TPSA149.71 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.70
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[4-[4-[2-butyl-1-(2,6-diethylphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]sulfonylphenyl]-2-pyridinyl]-2-cyclopropylacetamide
CID 155660863
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55913924
N-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
CID 155288307
1-cyclopentyl-N-(4-methoxy-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 146123420
1-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55933258
N-[4-[3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 129261123
1-(2-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 18885995
N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
CID 163409191
N-[4-(5-cyclopropyl-2-methyl-1H-imidazol-4-yl)-2-pyridinyl]cyclopropanecarboxamide
CID 155562118
N-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclopentanecarboxamide
CID 175474511
N-[4-[9-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
CID 175379458
(1R,2S)-1-(5-chloropyrimidin-2-yl)-N-[5-cyclopentyl-4-(2,6-dimethoxyphenyl)-1,2,4-triazol-3-yl]-1-methoxypropane-2-sulfonamide
CID 134532252

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-cyclopentyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]sulfonylphenyl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-[2-cyclopentyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]sulfonylphenyl]-2-pyridinyl]cyclopropanecarboxamide (CID 154702269) is N-[4-[4-[2-cyclopentyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]sulfonylphenyl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-[2-cyclopentyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]sulfonylphenyl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-[2-cyclopentyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]sulfonylphenyl]-2-pyridinyl]cyclopropanecarboxamide is COc1cccc(OC)c1-n1c(C2CCCC2)nc(O)c(S(=O)(=O)c2ccc(-c3ccnc(NC(=O)C4CC4)c3)cc2)c1=O.
What is the InChIKey of N-[4-[4-[2-cyclopentyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]sulfonylphenyl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is DESCMEJHVWTCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O7S/c1-42-24-8-5-9-25(43-2)27(24)36-29(20-6-3-4-7-20)35-31(38)28(32(36)39)44(40,41)23-14-12-19(13-15-23)22-16-17-33-26(18-22)34-30(37)21-10-11-21/h5,8-9,12-18,20-21,38H,3-4,6-7,10-11H2,1-2H3,(H,33,34,37).
What are the key properties of N-[4-[4-[2-cyclopentyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]sulfonylphenyl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[4-[2-cyclopentyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]sulfonylphenyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 616.70 g/mol, XLogP of 4.86, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-cyclopentyl-1-(2,6-dimethoxyphenyl)-4-hydroxy-6-oxopyrimidin-5-yl]sulfonylphenyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 154702269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).