N-(3-carbamoyl-2-methylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

C18H21N5O2 — CID 86998350

IUPACN-(3-carbamoyl-2-methylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCc1c(NC(=O)C2CCN(c3ncccn3)CC2)cccc1C(N)=O
InChIInChI=1S/C18H21N5O2/c1-12-14(16(19)24)4-2-5-15(12)22-17(25)13-6-10-23(11-7-13)18-20-8-3-9-21-18/h2-5,8-9,13H,6-7,10-11H2,1H3,(H2,19,24)(H,22,25)
InChIKeyWAQMXQCUVCKYPF-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.74
Rot. Bonds4

About N-(3-carbamoyl-2-methylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-(3-carbamoyl-2-methylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 86998350) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(3-carbamoyl-2-methylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-2-methylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID86998350
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-(3-carbamoyl-2-methylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCc1c(NC(=O)C2CCN(c3ncccn3)CC2)cccc1C(N)=O
InChIInChI=1S/C18H21N5O2/c1-12-14(16(19)24)4-2-5-15(12)22-17(25)13-6-10-23(11-7-13)18-20-8-3-9-21-18/h2-5,8-9,13H,6-7,10-11H2,1H3,(H2,19,24)(H,22,25)
InChIKeyWAQMXQCUVCKYPF-UHFFFAOYSA-N
XLogP1.74
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-carbamoyl-2-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 34571954
N-(3-carbamoyl-2-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284615
N-(3-carbamoyl-2-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284541
N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221264
N-(3-carbamoyl-2-methylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide
CID 53284599
N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223156
ethyl N-[4-[(1-pyrimidin-2-ylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 171678844
N-(3-carbamoyl-2-methylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 53284031
methyl 2-methyl-3-[(1-methylpiperidine-4-carbonyl)amino]benzoate
CID 50875352
(3R)-N-(3-carbamoyl-2-methylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 95875581
N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 653950
N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223112

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-2-methylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(3-carbamoyl-2-methylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 86998350) is N-(3-carbamoyl-2-methylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-2-methylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-carbamoyl-2-methylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is Cc1c(NC(=O)C2CCN(c3ncccn3)CC2)cccc1C(N)=O.
What is the InChIKey of N-(3-carbamoyl-2-methylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is WAQMXQCUVCKYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-14(16(19)24)4-2-5-15(12)22-17(25)13-6-10-23(11-7-13)18-20-8-3-9-21-18/h2-5,8-9,13H,6-7,10-11H2,1H3,(H2,19,24)(H,22,25).
What are the key properties of N-(3-carbamoyl-2-methylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-(3-carbamoyl-2-methylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-2-methylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 86998350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).