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

C19H20N6O — CID 109307463

IUPACN-methyl-N-(2-pyridin-4-ylethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1ccnc(NCc2ccncc2)n1
InChIInChI=1S/C19H20N6O/c1-25(13-7-15-2-8-20-9-3-15)18(26)17-6-12-22-19(24-17)23-14-16-4-10-21-11-5-16/h2-6,8-12H,7,13-14H2,1H3,(H,22,23,24)
InChIKeyYBOGADOQJURXDC-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.19
Rot. Bonds7

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

N-methyl-N-(2-pyridin-4-ylethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109307463) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-4-ylethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-4-ylethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109307463
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC NameN-methyl-N-(2-pyridin-4-ylethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1ccnc(NCc2ccncc2)n1
InChIInChI=1S/C19H20N6O/c1-25(13-7-15-2-8-20-9-3-15)18(26)17-6-12-22-19(24-17)23-14-16-4-10-21-11-5-16/h2-6,8-12H,7,13-14H2,1H3,(H,22,23,24)
InChIKeyYBOGADOQJURXDC-UHFFFAOYSA-N
XLogP2.19
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-ylmethylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109303271
2-[(2-methoxyphenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109306143
2-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309090
2-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109308678
2-(dipropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309038
N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 110699109
2-(3-chloro-4-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309074
2-(1,3-benzodioxol-5-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309098
2-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309086
5-[(4-methoxyphenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109190465
N-methyl-5-[(4-methylphenyl)methylamino]-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109280643
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 61051888

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (CID 109307463) is N-methyl-N-(2-pyridin-4-ylethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(2-pyridin-4-ylethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-methyl-N-(2-pyridin-4-ylethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is CN(CCc1ccncc1)C(=O)c1ccnc(NCc2ccncc2)n1.
What is the InChIKey of N-methyl-N-(2-pyridin-4-ylethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is YBOGADOQJURXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-25(13-7-15-2-8-20-9-3-15)18(26)17-6-12-22-19(24-17)23-14-16-4-10-21-11-5-16/h2-6,8-12H,7,13-14H2,1H3,(H,22,23,24).
What are the key properties of N-methyl-N-(2-pyridin-4-ylethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
N-methyl-N-(2-pyridin-4-ylethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-4-ylethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).