N-(4-propan-2-ylphenyl)-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide

C20H21N5O — CID 22249256

IUPACN-(4-propan-2-ylphenyl)-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cncnc2NCc2ccncc2)cc1
InChIInChI=1S/C20H21N5O/c1-14(2)16-3-5-17(6-4-16)25-20(26)18-12-22-13-24-19(18)23-11-15-7-9-21-10-8-15/h3-10,12-14H,11H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyUXTVVIABVSUZEU-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.86
Rot. Bonds6

About N-(4-propan-2-ylphenyl)-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide

N-(4-propan-2-ylphenyl)-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 22249256) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID22249256
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-(4-propan-2-ylphenyl)-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cncnc2NCc2ccncc2)cc1
InChIInChI=1S/C20H21N5O/c1-14(2)16-3-5-17(6-4-16)25-20(26)18-12-22-13-24-19(18)23-11-15-7-9-21-10-8-15/h3-10,12-14H,11H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyUXTVVIABVSUZEU-UHFFFAOYSA-N
XLogP3.86
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-propan-2-ylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350192
N-(4-methylsulfonylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249375
4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270695
2-[(3-amino-4-hydroxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 10045076
2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109255447
N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 110466850
N-(4-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;hydrochloride
CID 22249212
N-[4-(4-hydroxybutyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10270887
N-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10275331
N-(4-cyclohexylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249467
N-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249186
2-[(4-hydroxy-3-nitrophenyl)methylamino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 10024296

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide (CID 22249256) is N-(4-propan-2-ylphenyl)-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide is CC(C)c1ccc(NC(=O)c2cncnc2NCc2ccncc2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is UXTVVIABVSUZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14(2)16-3-5-17(6-4-16)25-20(26)18-12-22-13-24-19(18)23-11-15-7-9-21-10-8-15/h3-10,12-14H,11H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(4-propan-2-ylphenyl)-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide?
N-(4-propan-2-ylphenyl)-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 22249256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).