1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide

C24H31N5O4S — CID 55970200

IUPAC1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NC(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)cn2)C1
InChIInChI=1S/C24H31N5O4S/c25-24(31)19-4-3-13-28(17-19)22-11-8-20(16-26-22)27-23(30)12-7-18-5-9-21(10-6-18)34(32,33)29-14-1-2-15-29/h5-6,8-11,16,19H,1-4,7,12-15,17H2,(H2,25,31)(H,27,30)
InChIKeyUANAJTCLJQHLFD-UHFFFAOYSA-N
MW485.61 g/mol
LogP2.14
Rot. Bonds8

About 1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55970200) has the molecular formula C24H31N5O4S and a molecular weight of 485.61 g/mol. Its IUPAC name is 1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55970200
Molecular FormulaC24H31N5O4S
Molecular Weight485.61 g/mol
Exact Mass485.21
IUPAC Name1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NC(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)cn2)C1
InChIInChI=1S/C24H31N5O4S/c25-24(31)19-4-3-13-28(17-19)22-11-8-20(16-26-22)27-23(30)12-7-18-5-9-21(10-6-18)34(32,33)29-14-1-2-15-29/h5-6,8-11,16,19H,1-4,7,12-15,17H2,(H2,25,31)(H,27,30)
InChIKeyUANAJTCLJQHLFD-UHFFFAOYSA-N
XLogP2.14
TPSA125.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803
N-(6-amino-3-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 119515432
1-[5-[(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971217
1-[5-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700978
1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700725
1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 55970974
(3R)-N-phenyl-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927782
N-pyridin-4-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27700420
1-[5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701006
1-[5-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700999
(3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927781
1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700759

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide (CID 55970200) is 1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(NC(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)cn2)C1.
What is the InChIKey of 1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is UANAJTCLJQHLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4S/c25-24(31)19-4-3-13-28(17-19)22-11-8-20(16-26-22)27-23(30)12-7-18-5-9-21(10-6-18)34(32,33)29-14-1-2-15-29/h5-6,8-11,16,19H,1-4,7,12-15,17H2,(H2,25,31)(H,27,30).
What are the key properties of 1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 485.61 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55970200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).