N-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide

C22H26N4O2 — CID 26978473

IUPACN-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)c2cccnc2N2CCCC2)CC1
InChIInChI=1S/C22H26N4O2/c27-21(24-18-7-2-1-3-8-18)17-10-15-26(16-11-17)22(28)19-9-6-12-23-20(19)25-13-4-5-14-25/h1-3,6-9,12,17H,4-5,10-11,13-16H2,(H,24,27)
InChIKeyCYINOGSDOBNFTB-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.17
Rot. Bonds4

About N-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide

N-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 26978473) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide
PubChem CID26978473
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)c2cccnc2N2CCCC2)CC1
InChIInChI=1S/C22H26N4O2/c27-21(24-18-7-2-1-3-8-18)17-10-15-26(16-11-17)22(28)19-9-6-12-23-20(19)25-13-4-5-14-25/h1-3,6-9,12,17H,4-5,10-11,13-16H2,(H,24,27)
InChIKeyCYINOGSDOBNFTB-UHFFFAOYSA-N
XLogP3.17
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 78806153
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 8934171
N-methyl-1-(2-morpholin-4-ylpyridine-3-carbonyl)piperidine-4-carboxamide
CID 39507171
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 46599128
1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 110298371
[4-(methylaminomethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride
CID 119545764
(3S)-1-[2-(benzimidazol-1-yl)pyridine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 51727731
1-(naphthalene-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 27700417
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
1-(2,5-difluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 46808218

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide (CID 26978473) is N-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(C(=O)c2cccnc2N2CCCC2)CC1.
What is the InChIKey of N-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is CYINOGSDOBNFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-21(24-18-7-2-1-3-8-18)17-10-15-26(16-11-17)22(28)19-9-6-12-23-20(19)25-13-4-5-14-25/h1-3,6-9,12,17H,4-5,10-11,13-16H2,(H,24,27).
What are the key properties of N-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide?
N-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 26978473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).