4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide

C13H15N5O — CID 55046845

IUPAC4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)NCc2ccnc(C)n2)c1
InChIInChI=1S/C13H15N5O/c1-9-15-5-4-11(18-9)8-17-13(19)12-7-10(14-2)3-6-16-12/h3-7H,8H2,1-2H3,(H,14,16)(H,17,19)
InChIKeyZJHPVHCHUAPBAV-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.15
Rot. Bonds4

About 4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide

4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide (PubChem CID 55046845) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
PubChem CID55046845
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)NCc2ccnc(C)n2)c1
InChIInChI=1S/C13H15N5O/c1-9-15-5-4-11(18-9)8-17-13(19)12-7-10(14-2)3-6-16-12/h3-7H,8H2,1-2H3,(H,14,16)(H,17,19)
InChIKeyZJHPVHCHUAPBAV-UHFFFAOYSA-N
XLogP1.15
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-[(2-methylpyrimidin-4-yl)methylamino]pyridine-2-carboxamide
CID 61016724
4-(methylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 62176835
6-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 62238643
4-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 62179336
5-amino-N-[(2-methylpyrimidin-4-yl)methyl]pyrazine-2-carboxamide
CID 113381906
2,6-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 61053110
N-[(3,4-difluorophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide
CID 62175967
4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 81243134
2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 103752547
4-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 62249646
N-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide
CID 62178016
4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 47292396

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide (CID 55046845) is 4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide is CNc1ccnc(C(=O)NCc2ccnc(C)n2)c1.
What is the InChIKey of 4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide?
The InChIKey is ZJHPVHCHUAPBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-9-15-5-4-11(18-9)8-17-13(19)12-7-10(14-2)3-6-16-12/h3-7H,8H2,1-2H3,(H,14,16)(H,17,19).
What are the key properties of 4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide?
4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 55046845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).