N-(3-methylbutyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

C16H21N5O — CID 109307488

IUPACN-(3-methylbutyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCC(C)CCNC(=O)c1ccnc(NCc2ccncc2)n1
InChIInChI=1S/C16H21N5O/c1-12(2)3-9-18-15(22)14-6-10-19-16(21-14)20-11-13-4-7-17-8-5-13/h4-8,10,12H,3,9,11H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyFNEYBUGNOLFUMR-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.26
Rot. Bonds7

About N-(3-methylbutyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

N-(3-methylbutyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109307488) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109307488
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-(3-methylbutyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCC(C)CCNC(=O)c1ccnc(NCc2ccncc2)n1
InChIInChI=1S/C16H21N5O/c1-12(2)3-9-18-15(22)14-6-10-19-16(21-14)20-11-13-4-7-17-8-5-13/h4-8,10,12H,3,9,11H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyFNEYBUGNOLFUMR-UHFFFAOYSA-N
XLogP2.26
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109295989
N-[(4-chlorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109306057
N-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109296575
2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307886
N-(3-methylbutyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109121261
N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109305403
N-[2-(3-methoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307461
N-(pyridin-2-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307025
N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307312
N-[2,6-di(propan-2-yl)phenyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307573
2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307058
N-cyclopentyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109298065

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (CID 109307488) is N-(3-methylbutyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is CC(C)CCNC(=O)c1ccnc(NCc2ccncc2)n1.
What is the InChIKey of N-(3-methylbutyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is FNEYBUGNOLFUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12(2)3-9-18-15(22)14-6-10-19-16(21-14)20-11-13-4-7-17-8-5-13/h4-8,10,12H,3,9,11H2,1-2H3,(H,18,22)(H,19,20,21).
What are the key properties of N-(3-methylbutyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
N-(3-methylbutyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).