N-(2-phenylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C22H22N4O — CID 653555

IUPACN-(2-phenylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C22H22N4O/c27-21(18-10-6-15-26(16-18)22-23-13-7-14-24-22)25-20-12-5-4-11-19(20)17-8-2-1-3-9-17/h1-5,7-9,11-14,18H,6,10,15-16H2,(H,25,27)
InChIKeyBGMWXHLGEISHRW-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.00
Rot. Bonds4

About N-(2-phenylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-(2-phenylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 653555) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(2-phenylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID653555
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC NameN-(2-phenylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C22H22N4O/c27-21(18-10-6-15-26(16-18)22-23-13-7-14-24-22)25-20-12-5-4-11-19(20)17-8-2-1-3-9-17/h1-5,7-9,11-14,18H,6,10,15-16H2,(H,25,27)
InChIKeyBGMWXHLGEISHRW-UHFFFAOYSA-N
XLogP4.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Jnk-IN-8
CID 57340686
C-1368
CID 9549303
8-(4-ethylphenyl)-N-methoxy-2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 25218659
Cgp-53716
CID 9864718
8-methyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328637
Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
8-ethyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328647
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 51
CID 5330237
N-[3-(4-Pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-nicotinamide
CID 9947433
2-{[2-(Phenylamino)pyrimidin-4-yl]amino}benzamide
CID 23647253
N-[4-[2-[(4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl]phenyl]ethanamide
CID 24877326
3-({4-[(2-Methylphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138018

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(2-phenylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 653555) is N-(2-phenylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-phenylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-phenylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(Nc1ccccc1-c1ccccc1)C1CCCN(c2ncccn2)C1.
What is the InChIKey of N-(2-phenylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is BGMWXHLGEISHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c27-21(18-10-6-15-26(16-18)22-23-13-7-14-24-22)25-20-12-5-4-11-19(20)17-8-2-1-3-9-17/h1-5,7-9,11-14,18H,6,10,15-16H2,(H,25,27).
What are the key properties of N-(2-phenylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-(2-phenylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 653555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).