N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]pyridine-2-carboxamide

C14H17N5O — CID 122353929

IUPACN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]pyridine-2-carboxamide
SMILESCc1cc(CNC(=O)c2ccccn2)nc(N(C)C)n1
InChIInChI=1S/C14H17N5O/c1-10-8-11(18-14(17-10)19(2)3)9-16-13(20)12-6-4-5-7-15-12/h4-8H,9H2,1-3H3,(H,16,20)
InChIKeyWQJLPXSQXOWXTA-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.18
Rot. Bonds4

About N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]pyridine-2-carboxamide

N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]pyridine-2-carboxamide (PubChem CID 122353929) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]pyridine-2-carboxamide
PubChem CID122353929
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]pyridine-2-carboxamide
SMILESCc1cc(CNC(=O)c2ccccn2)nc(N(C)C)n1
InChIInChI=1S/C14H17N5O/c1-10-8-11(18-14(17-10)19(2)3)9-16-13(20)12-6-4-5-7-15-12/h4-8H,9H2,1-3H3,(H,16,20)
InChIKeyWQJLPXSQXOWXTA-UHFFFAOYSA-N
XLogP1.18
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 91967581
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide
CID 72718411
2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 122354191
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-fluorobenzamide
CID 72718413
3-(2-chlorophenyl)-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122354190
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122354035
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 91967591
1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122354189
2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109329747
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyridine-2-carboxamide
CID 110794329
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(3-ethylsulfonylphenyl)acetamide
CID 119046367
4-cyclopentyl-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 126777534

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]pyridine-2-carboxamide (CID 122353929) is N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]pyridine-2-carboxamide is Cc1cc(CNC(=O)c2ccccn2)nc(N(C)C)n1.
What is the InChIKey of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]pyridine-2-carboxamide?
The InChIKey is WQJLPXSQXOWXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-10-8-11(18-14(17-10)19(2)3)9-16-13(20)12-6-4-5-7-15-12/h4-8H,9H2,1-3H3,(H,16,20).
What are the key properties of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]pyridine-2-carboxamide?
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]pyridine-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 122353929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).