N-(3-chloro-4-methoxyphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide

C19H14ClN5O2 — CID 109317442

IUPACN-(3-chloro-4-methoxyphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(Nc3ccccc3C#N)n2)cc1Cl
InChIInChI=1S/C19H14ClN5O2/c1-27-17-7-6-13(10-14(17)20)23-18(26)16-8-9-22-19(25-16)24-15-5-3-2-4-12(15)11-21/h2-10H,1H3,(H,23,26)(H,22,24,25)
InChIKeyNWAXSNZHOLYVJT-UHFFFAOYSA-N
MW379.81 g/mol
LogP4.01
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide (PubChem CID 109317442) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
PubChem CID109317442
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(Nc3ccccc3C#N)n2)cc1Cl
InChIInChI=1S/C19H14ClN5O2/c1-27-17-7-6-13(10-14(17)20)23-18(26)16-8-9-22-19(25-16)24-15-5-3-2-4-12(15)11-21/h2-10H,1H3,(H,23,26)(H,22,24,25)
InChIKeyNWAXSNZHOLYVJT-UHFFFAOYSA-N
XLogP4.01
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109317314
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317289
N-(3-cyanophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317549
N-(3-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109317101
2-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109317339
2-(benzylamino)-N-(3-chloro-4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109303680
2-(4-chloroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109316972
2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109318102
methyl 2-[[4-[(3-chloro-4-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109317304
2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316079
N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109315415
N-(4-cyanophenyl)-2-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109318088

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide (CID 109317442) is N-(3-chloro-4-methoxyphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(Nc3ccccc3C#N)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide?
The InChIKey is NWAXSNZHOLYVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c1-27-17-7-6-13(10-14(17)20)23-18(26)16-8-9-22-19(25-16)24-15-5-3-2-4-12(15)11-21/h2-10H,1H3,(H,23,26)(H,22,24,25).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide has a molecular weight of 379.81 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109317442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).