N-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide

C12H15N5O — CID 138041639

IUPACN-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide
SMILESN#CCNC(=O)C1CCCCN1c1ncccn1
InChIInChI=1S/C12H15N5O/c13-5-8-14-11(18)10-4-1-2-9-17(10)12-15-6-3-7-16-12/h3,6-7,10H,1-2,4,8-9H2,(H,14,18)
InChIKeyRYBHJHNTXHMVAV-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.48
Rot. Bonds3

About N-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide

N-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide (PubChem CID 138041639) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide
PubChem CID138041639
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide
SMILESN#CCNC(=O)C1CCCCN1c1ncccn1
InChIInChI=1S/C12H15N5O/c13-5-8-14-11(18)10-4-1-2-9-17(10)12-15-6-3-7-16-12/h3,6-7,10H,1-2,4,8-9H2,(H,14,18)
InChIKeyRYBHJHNTXHMVAV-UHFFFAOYSA-N
XLogP0.48
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze N-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-hexyl-1-pyrimidin-2-ylpiperidine-2-carboxamide
CID 51935919
(2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 95302854
N-(5-hydroxy-4-methylpentyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 103861720
N-cyclopentyloxy-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 83216321
methyl 3-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoate
CID 43623563
(2R)-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 54991238
N-(4-hydroxy-3-methylbutan-2-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 115770837
N-(cyanomethyl)-1-[4-(4-piperazin-1-ylphenyl)phenyl]piperidine-2-carboxamide
CID 22235893
N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 103801069
N-[(3-ethoxyphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 126810226
(2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 97033170
N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 71982018

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide?
The IUPAC name of N-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide (CID 138041639) is N-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide?
The canonical SMILES for N-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide is N#CCNC(=O)C1CCCCN1c1ncccn1.
What is the InChIKey of N-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide?
The InChIKey is RYBHJHNTXHMVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-5-8-14-11(18)10-4-1-2-9-17(10)12-15-6-3-7-16-12/h3,6-7,10H,1-2,4,8-9H2,(H,14,18).
What are the key properties of N-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide?
N-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 138041639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).