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

C15H19N5O — CID 109248078

IUPACN-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1cnc(NCc2ccccn2)nc1
InChIInChI=1S/C15H19N5O/c1-2-3-7-17-14(21)12-9-18-15(19-10-12)20-11-13-6-4-5-8-16-13/h4-6,8-10H,2-3,7,11H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyLGYCNFZTJVMUDX-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.01
Rot. Bonds7

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

N-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 109248078) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID109248078
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1cnc(NCc2ccccn2)nc1
InChIInChI=1S/C15H19N5O/c1-2-3-7-17-14(21)12-9-18-15(19-10-12)20-11-13-6-4-5-8-16-13/h4-6,8-10H,2-3,7,11H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyLGYCNFZTJVMUDX-UHFFFAOYSA-N
XLogP2.01
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258703
3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105911
N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109110804
N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248063
N-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283102
6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109157775
2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094229
2-[(2-chlorophenyl)methylamino]-N-pentylpyrimidine-5-carboxamide
CID 109257503
2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109248264
N-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109248053
N-dodecyl-4-[(pyridin-2-ylmethylamino)methyl]benzamide
CID 174467580
N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258682

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide (CID 109248078) is N-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide is CCCCNC(=O)c1cnc(NCc2ccccn2)nc1.
What is the InChIKey of N-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is LGYCNFZTJVMUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-2-3-7-17-14(21)12-9-18-15(19-10-12)20-11-13-6-4-5-8-16-13/h4-6,8-10H,2-3,7,11H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of N-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
N-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109248078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).