N-(2,4-dimethoxyphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide

C18H16N4O3 — CID 53149802

IUPACN-(2,4-dimethoxyphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cncnc3)nc2)c(OC)c1
InChIInChI=1S/C18H16N4O3/c1-24-14-4-6-16(17(7-14)25-2)22-18(23)12-3-5-15(21-10-12)13-8-19-11-20-9-13/h3-11H,1-2H3,(H,22,23)
InChIKeyDZMHDBHXAVEIRJ-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.81
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide

N-(2,4-dimethoxyphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide (PubChem CID 53149802) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide
PubChem CID53149802
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-(2,4-dimethoxyphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cncnc3)nc2)c(OC)c1
InChIInChI=1S/C18H16N4O3/c1-24-14-4-6-16(17(7-14)25-2)22-18(23)12-3-5-15(21-10-12)13-8-19-11-20-9-13/h3-11H,1-2H3,(H,22,23)
InChIKeyDZMHDBHXAVEIRJ-UHFFFAOYSA-N
XLogP2.81
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162325
1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043198
N-(2,4-dimethoxyphenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156154
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109255477
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
6-(2-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109164359
2-(butan-2-ylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109249144
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
CID 71835794
N-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256303
N-(2,4-dimethoxyphenyl)-6-(2,3-dimethylanilino)pyridine-3-carboxamide
CID 109162768

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide (CID 53149802) is N-(2,4-dimethoxyphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc(-c3cncnc3)nc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide?
The InChIKey is DZMHDBHXAVEIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-24-14-4-6-16(17(7-14)25-2)22-18(23)12-3-5-15(21-10-12)13-8-19-11-20-9-13/h3-11H,1-2H3,(H,22,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide?
N-(2,4-dimethoxyphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide is sourced from PubChem (CID 53149802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).