4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide

C13H15N5O — CID 81243134

IUPAC4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NCc1ccnc(C)n1
InChIInChI=1S/C13H15N5O/c1-9-16-6-3-10(18-9)7-17-13(19)11-8-15-5-4-12(11)14-2/h3-6,8H,7H2,1-2H3,(H,14,15)(H,17,19)
InChIKeyAIKBNRYGFXDRKZ-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.15
Rot. Bonds4

About 4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide

4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 81243134) 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-3-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
PubChem CID81243134
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NCc1ccnc(C)n1
InChIInChI=1S/C13H15N5O/c1-9-16-6-3-10(18-9)7-17-13(19)11-8-15-5-4-12(11)14-2/h3-6,8H,7H2,1-2H3,(H,14,15)(H,17,19)
InChIKeyAIKBNRYGFXDRKZ-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

4-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 81255907
4-chloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 81226586
4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106897669
4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 55046845
N-[(2-ethylphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81245012
N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81236247
6-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 62238643
N-[(2-methylpyrimidin-4-yl)methyl]-2-methylsulfonylbenzamide
CID 60537589
5-amino-N-[(2-methylpyrimidin-4-yl)methyl]pyrazine-2-carboxamide
CID 113381906
N-[(2-chlorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81234516
3-fluoro-2-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 62660449
2,6-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 61053110

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide (CID 81243134) is 4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide is CNc1ccncc1C(=O)NCc1ccnc(C)n1.
What is the InChIKey of 4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is AIKBNRYGFXDRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-9-16-6-3-10(18-9)7-17-13(19)11-8-15-5-4-12(11)14-2/h3-6,8H,7H2,1-2H3,(H,14,15)(H,17,19).
What are the key properties of 4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide?
4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-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-3-carboxamide is sourced from PubChem (CID 81243134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).