6-butyl-3-[3-(5-chloro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one

C27H31ClN4O3 — CID 139557785

IUPAC6-butyl-3-[3-(5-chloro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one
SMILESCCCCc1[nH]c(=O)c(C(=O)N2CCC(c3ccc(Cl)cn3)C2)c(O)c1N(CC)c1ccccc1
InChIInChI=1S/C27H31ClN4O3/c1-3-5-11-22-24(32(4-2)20-9-7-6-8-10-20)25(33)23(26(34)30-22)27(35)31-15-14-18(17-31)21-13-12-19(28)16-29-21/h6-10,12-13,16,18H,3-5,11,14-15,17H2,1-2H3,(H2,30,33,34)
InChIKeyVUQMOECMEDEDNO-UHFFFAOYSA-N
MW495.02 g/mol
LogP5.26
Rot. Bonds8

About 6-butyl-3-[3-(5-chloro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one

6-butyl-3-[3-(5-chloro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one (PubChem CID 139557785) has the molecular formula C27H31ClN4O3 and a molecular weight of 495.02 g/mol. Its IUPAC name is 6-butyl-3-[3-(5-chloro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name6-butyl-3-[3-(5-chloro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one
PubChem CID139557785
Molecular FormulaC27H31ClN4O3
Molecular Weight495.02 g/mol
Exact Mass494.21
IUPAC Name6-butyl-3-[3-(5-chloro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one
SMILESCCCCc1[nH]c(=O)c(C(=O)N2CCC(c3ccc(Cl)cn3)C2)c(O)c1N(CC)c1ccccc1
InChIInChI=1S/C27H31ClN4O3/c1-3-5-11-22-24(32(4-2)20-9-7-6-8-10-20)25(33)23(26(34)30-22)27(35)31-15-14-18(17-31)21-13-12-19(28)16-29-21/h6-10,12-13,16,18H,3-5,11,14-15,17H2,1-2H3,(H2,30,33,34)
InChIKeyVUQMOECMEDEDNO-UHFFFAOYSA-N
XLogP5.26
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.02
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-6-(3-methylphenyl)-1H-pyridin-2-one
CID 139557792
6-butyl-3-[3-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one
CID 139576458
6-butyl-3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one
CID 139576721
6-(cyclopropylmethyl)-3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one
CID 139557802
1-(4-chlorophenyl)-4-hydroxy-3-isopropyl-6,3'-bipyridine-2(1H)-one
CID 54683852
1-(4-chlorophenyl)-2-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 46048874
N-(3-chlorophenyl)-4-hydroxy-6-methyl-2-oxo-1-(pyridin-2-ylmethyl)-1,2-dihydropyridine-3-carboxamide
CID 54677275
6-(2-(5-Chloropyridin-2-yl)-1-phenylpropan-2-yl)pyridin-2(1H)-one
CID 166478892
1-(3-chloro-4-fluorophenyl)-3-hydroxy-5-oxo-N-(2-pyridin-2-ylethyl)-2H-pyrrole-4-carboxamide
CID 57820809
2-butyl-5-[3-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-6-hydroxy-3-[(1S)-1-phenylpropyl]pyrimidin-4-one
CID 137198155
2-butyl-5-[3-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-6-hydroxy-3-[(1R)-1-phenylpropyl]pyrimidin-4-one
CID 137238862
2-Butyl-5-[3-(5-chloro-3-fluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-6-hydroxy-3-(1-phenylpropyl)pyrimidin-4-one
CID 137238864

Frequently Asked Questions

What is the IUPAC name of 6-butyl-3-[3-(5-chloro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one?
The IUPAC name of 6-butyl-3-[3-(5-chloro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one (CID 139557785) is 6-butyl-3-[3-(5-chloro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 6-butyl-3-[3-(5-chloro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 6-butyl-3-[3-(5-chloro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one is CCCCc1[nH]c(=O)c(C(=O)N2CCC(c3ccc(Cl)cn3)C2)c(O)c1N(CC)c1ccccc1.
What is the InChIKey of 6-butyl-3-[3-(5-chloro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one?
The InChIKey is VUQMOECMEDEDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN4O3/c1-3-5-11-22-24(32(4-2)20-9-7-6-8-10-20)25(33)23(26(34)30-22)27(35)31-15-14-18(17-31)21-13-12-19(28)16-29-21/h6-10,12-13,16,18H,3-5,11,14-15,17H2,1-2H3,(H2,30,33,34).
What are the key properties of 6-butyl-3-[3-(5-chloro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one?
6-butyl-3-[3-(5-chloro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one has a molecular weight of 495.02 g/mol, XLogP of 5.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3-[3-(5-chloro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 139557785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).