6-(N-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

C18H17N5O — CID 109350320

IUPAC6-(N-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCN(c1ccccc1)c1cc(C(=O)NCc2ccncc2)ncn1
InChIInChI=1S/C18H17N5O/c1-23(15-5-3-2-4-6-15)17-11-16(21-13-22-17)18(24)20-12-14-7-9-19-10-8-14/h2-11,13H,12H2,1H3,(H,20,24)
InChIKeyOSVMHFNNGPSKQA-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.57
Rot. Bonds5

About 6-(N-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide

6-(N-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109350320) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-(N-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(N-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109350320
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name6-(N-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
SMILESCN(c1ccccc1)c1cc(C(=O)NCc2ccncc2)ncn1
InChIInChI=1S/C18H17N5O/c1-23(15-5-3-2-4-6-15)17-11-16(21-13-22-17)18(24)20-12-14-7-9-19-10-8-14/h2-11,13H,12H2,1H3,(H,20,24)
InChIKeyOSVMHFNNGPSKQA-UHFFFAOYSA-N
XLogP2.57
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-4-N-phenyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112860925
N-[2-(4-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109351495
N-[2-(3-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109351369
N-[(3-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109347162
6-(N-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347681
methyl [6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-4-yl] carbonate
CID 69159261
N-(pyridin-4-ylmethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350132
N-(4-bromophenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109356370
N-(3-methoxyphenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109356373
6-[(2-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109348842
6-(propylamino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109338279
6-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109350279

Frequently Asked Questions

What is the IUPAC name of 6-(N-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(N-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide (CID 109350320) is 6-(N-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(N-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(N-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is CN(c1ccccc1)c1cc(C(=O)NCc2ccncc2)ncn1.
What is the InChIKey of 6-(N-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is OSVMHFNNGPSKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-23(15-5-3-2-4-6-15)17-11-16(21-13-22-17)18(24)20-12-14-7-9-19-10-8-14/h2-11,13H,12H2,1H3,(H,20,24).
What are the key properties of 6-(N-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide?
6-(N-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109350320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).