N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-4-phenylpyrimidine-5-carboxamide

C20H25N5O2 — CID 77084193

IUPACN-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-4-phenylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCCC(C(N)=O)C2)c(-c2ccccc2)n1
InChIInChI=1S/C20H25N5O2/c1-14-23-12-17(18(24-14)15-6-3-2-4-7-15)20(27)22-9-11-25-10-5-8-16(13-25)19(21)26/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H2,21,26)(H,22,27)
InChIKeySWELKKTTXYKINP-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.38
Rot. Bonds6

About N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-4-phenylpyrimidine-5-carboxamide

N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-4-phenylpyrimidine-5-carboxamide (PubChem CID 77084193) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-4-phenylpyrimidine-5-carboxamide
PubChem CID77084193
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-4-phenylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCCC(C(N)=O)C2)c(-c2ccccc2)n1
InChIInChI=1S/C20H25N5O2/c1-14-23-12-17(18(24-14)15-6-3-2-4-7-15)20(27)22-9-11-25-10-5-8-16(13-25)19(21)26/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H2,21,26)(H,22,27)
InChIKeySWELKKTTXYKINP-UHFFFAOYSA-N
XLogP1.38
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 74251449
(3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 28733147
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 74248067
1-[2-[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]ethyl]piperidine-3-carboxamide
CID 50960859
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 74240532
N-[2-[(3S)-3-carbamoylpiperidin-1-yl]ethyl]-2,3,6-trimethylquinoline-4-carboxamide
CID 97277175
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 72874902
(3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 99944023
2-amino-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-phenylpyrimidine-5-carboxamide
CID 74249805
1-[3-[(2-phenoxybenzoyl)amino]propyl]piperidine-3-carboxamide
CID 51134727
1-[2-[[3-(6-cyano-2-pyridinyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 121496561
1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 74246457

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-4-phenylpyrimidine-5-carboxamide (CID 77084193) is N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-4-phenylpyrimidine-5-carboxamide is Cc1ncc(C(=O)NCCN2CCCC(C(N)=O)C2)c(-c2ccccc2)n1.
What is the InChIKey of N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-4-phenylpyrimidine-5-carboxamide?
The InChIKey is SWELKKTTXYKINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-14-23-12-17(18(24-14)15-6-3-2-4-7-15)20(27)22-9-11-25-10-5-8-16(13-25)19(21)26/h2-4,6-7,12,16H,5,8-11,13H2,1H3,(H2,21,26)(H,22,27).
What are the key properties of N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-4-phenylpyrimidine-5-carboxamide?
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-4-phenylpyrimidine-5-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 77084193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).