2-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyrimidine-4-carboxamide

C19H14ClN5O — CID 109306028

IUPAC2-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyrimidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccnc(NCc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H14ClN5O/c20-15-5-1-14(2-6-15)12-23-19-22-10-9-17(25-19)18(26)24-16-7-3-13(11-21)4-8-16/h1-10H,12H2,(H,24,26)(H,22,23,25)
InChIKeyYTDQOLCRYUHARD-UHFFFAOYSA-N
MW363.81 g/mol
LogP3.87
Rot. Bonds5

About 2-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyrimidine-4-carboxamide

2-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyrimidine-4-carboxamide (PubChem CID 109306028) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyrimidine-4-carboxamide
PubChem CID109306028
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC Name2-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyrimidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccnc(NCc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H14ClN5O/c20-15-5-1-14(2-6-15)12-23-19-22-10-9-17(25-19)18(26)24-16-7-3-13(11-21)4-8-16/h1-10H,12H2,(H,24,26)(H,22,23,25)
InChIKeyYTDQOLCRYUHARD-UHFFFAOYSA-N
XLogP3.87
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-chlorophenyl)ethylamino]-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109309781
N-(4-cyanophenyl)-2-(3,5-dichloroanilino)pyrimidine-4-carboxamide
CID 109318737
6-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 109370132
2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109306011
2-(benzylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303645
N-(4-cyanophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide
CID 109299453
2-(4-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109318827
N-(4-chlorophenyl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109307802
N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307500
2-[(4-chlorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
CID 109294953
2-(benzylamino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109303743
N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311519

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyrimidine-4-carboxamide (CID 109306028) is 2-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyrimidine-4-carboxamide is N#Cc1ccc(NC(=O)c2ccnc(NCc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyrimidine-4-carboxamide?
The InChIKey is YTDQOLCRYUHARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O/c20-15-5-1-14(2-6-15)12-23-19-22-10-9-17(25-19)18(26)24-16-7-3-13(11-21)4-8-16/h1-10H,12H2,(H,24,26)(H,22,23,25).
What are the key properties of 2-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyrimidine-4-carboxamide?
2-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyrimidine-4-carboxamide has a molecular weight of 363.81 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-N-(4-cyanophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109306028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).