N-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide

C16H21N5O — CID 109258703

IUPACN-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(NCc2ccccn2)nc1
InChIInChI=1S/C16H21N5O/c1-3-4-9-21(2)15(22)13-10-18-16(19-11-13)20-12-14-7-5-6-8-17-14/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,18,19,20)
InChIKeySTMACDFYNVSHCP-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.36
Rot. Bonds7

About N-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide

N-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 109258703) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID109258703
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(NCc2ccccn2)nc1
InChIInChI=1S/C16H21N5O/c1-3-4-9-21(2)15(22)13-10-18-16(19-11-13)20-12-14-7-5-6-8-17-14/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,18,19,20)
InChIKeySTMACDFYNVSHCP-UHFFFAOYSA-N
XLogP2.36
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-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

N-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248078
N-butyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120689
N-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide
CID 109257900
N'-butyl-N'-methyl-N-(pyridin-2-ylmethyl)oxamide
CID 108518361
N-butyl-2-[(4-fluorophenyl)methylamino]-N-methylpyrimidine-5-carboxamide
CID 109257290
N-butyl-N-methyl-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681859
N-butyl-2-(3-methoxypropylamino)-N-methylpyrimidine-5-carboxamide
CID 109251916
N-butyl-N-methyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109263888
4-N-butyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148692
N-butyl-2-[2-(4-methoxyphenyl)ethylamino]-N-methylpyrimidine-5-carboxamide
CID 109260523
5-[butyl(methyl)amino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282959
N-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide
CID 109263866

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide (CID 109258703) is N-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide is CCCCN(C)C(=O)c1cnc(NCc2ccccn2)nc1.
What is the InChIKey of N-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is STMACDFYNVSHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-3-4-9-21(2)15(22)13-10-18-16(19-11-13)20-12-14-7-5-6-8-17-14/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,18,19,20).
What are the key properties of N-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
N-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109258703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).