N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide

C19H14ClN5O — CID 109257471

IUPACN-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide
SMILESN#Cc1cccc(Nc2ncc(C(=O)NCc3ccccc3Cl)cn2)c1
InChIInChI=1S/C19H14ClN5O/c20-17-7-2-1-5-14(17)10-22-18(26)15-11-23-19(24-12-15)25-16-6-3-4-13(8-16)9-21/h1-8,11-12H,10H2,(H,22,26)(H,23,24,25)
InChIKeyOOMJMTCONTXHRK-UHFFFAOYSA-N
MW363.81 g/mol
LogP3.68
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide

N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide (PubChem CID 109257471) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide
PubChem CID109257471
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide
SMILESN#Cc1cccc(Nc2ncc(C(=O)NCc3ccccc3Cl)cn2)c1
InChIInChI=1S/C19H14ClN5O/c20-17-7-2-1-5-14(17)10-22-18(26)15-11-23-19(24-12-15)25-16-6-3-4-13(8-16)9-21/h1-8,11-12H,10H2,(H,22,26)(H,23,24,25)
InChIKeyOOMJMTCONTXHRK-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109233871
2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257438
N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109170782
2-(3-chloro-4-methylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257443
2-(4-acetylanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257457
6-[(2-chlorophenyl)methylamino]-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109156828
N-[(2-chlorophenyl)methyl]-3-[[5-(3-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826639
N-(3-cyanophenyl)-2-(2,3-dichloroanilino)pyrimidine-5-carboxamide
CID 109270661
2-(3-cyanoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109267752
N-[(2-chlorophenyl)methyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108792460
2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252493
2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249705

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide (CID 109257471) is N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide is N#Cc1cccc(Nc2ncc(C(=O)NCc3ccccc3Cl)cn2)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide?
The InChIKey is OOMJMTCONTXHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O/c20-17-7-2-1-5-14(17)10-22-18(26)15-11-23-19(24-12-15)25-16-6-3-4-13(8-16)9-21/h1-8,11-12H,10H2,(H,22,26)(H,23,24,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide?
N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide has a molecular weight of 363.81 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(3-cyanoanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109257471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).