N-(3-methoxyphenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide

C19H18N4O2 — CID 109356373

IUPACN-(3-methoxyphenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(N(C)c3ccccc3)ncn2)c1
InChIInChI=1S/C19H18N4O2/c1-23(15-8-4-3-5-9-15)18-12-17(20-13-21-18)19(24)22-14-7-6-10-16(11-14)25-2/h3-13H,1-2H3,(H,22,24)
InChIKeyNAYRMYUZOLXKRM-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.51
Rot. Bonds5

About N-(3-methoxyphenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide

N-(3-methoxyphenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109356373) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide
PubChem CID109356373
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-(3-methoxyphenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(N(C)c3ccccc3)ncn2)c1
InChIInChI=1S/C19H18N4O2/c1-23(15-8-4-3-5-9-15)18-12-17(20-13-21-18)19(24)22-14-7-6-10-16(11-14)25-2/h3-13H,1-2H3,(H,22,24)
InChIKeyNAYRMYUZOLXKRM-UHFFFAOYSA-N
XLogP3.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109356370
N-[2-(3-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109351369
6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355832
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989
N-[2-(4-methoxyphenyl)ethyl]-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109351495
N-(3-methoxyphenyl)isoquinoline-3-carboxamide
CID 110859992
N-(3-methoxyphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104640036
6-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358871
4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218773
N-(4-methoxyphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 112848508
methyl 2-[[6-[(3-methoxyphenyl)carbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109358852
6-(N-methylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109350320

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide (CID 109356373) is N-(3-methoxyphenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide is COc1cccc(NC(=O)c2cc(N(C)c3ccccc3)ncn2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is NAYRMYUZOLXKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-23(15-8-4-3-5-9-15)18-12-17(20-13-21-18)19(24)22-14-7-6-10-16(11-14)25-2/h3-13H,1-2H3,(H,22,24).
What are the key properties of N-(3-methoxyphenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide?
N-(3-methoxyphenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).