N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

C13H14N4O — CID 110699109

IUPACN-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1ccncn1
InChIInChI=1S/C13H14N4O/c1-17(9-5-11-2-6-14-7-3-11)13(18)12-4-8-15-10-16-12/h2-4,6-8,10H,5,9H2,1H3
InChIKeyTVZZPNOIZORQKQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.19
Rot. Bonds4

About N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (PubChem CID 110699109) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
PubChem CID110699109
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1ccncn1
InChIInChI=1S/C13H14N4O/c1-17(9-5-11-2-6-14-7-3-11)13(18)12-4-8-15-10-16-12/h2-4,6-8,10H,5,9H2,1H3
InChIKeyTVZZPNOIZORQKQ-UHFFFAOYSA-N
XLogP1.19
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 110689492
2-(dipropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309038
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 61051888
N-methyl-N-(2-pyridin-4-ylethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307463
6-(3-methoxypropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109343138
3-[methyl(2-pyridin-4-ylethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369258
6-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109340614
N-methyl-N-(2-pyridin-4-ylethyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109351665
4-(dipropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214653
5-[3-(dimethylamino)propylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109186113
5-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109181625
4-N-butyl-2-N,4-N-dimethyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088262

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (CID 110699109) is N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is CN(CCc1ccncc1)C(=O)c1ccncn1.
What is the InChIKey of N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is TVZZPNOIZORQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-17(9-5-11-2-6-14-7-3-11)13(18)12-4-8-15-10-16-12/h2-4,6-8,10H,5,9H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 110699109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).