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

C19H14ClN5O — CID 109317101

IUPACN-(3-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccnc(Nc2ccccc2C#N)n1
InChIInChI=1S/C19H14ClN5O/c1-12-14(20)6-4-8-15(12)23-18(26)17-9-10-22-19(25-17)24-16-7-3-2-5-13(16)11-21/h2-10H,1H3,(H,23,26)(H,22,24,25)
InChIKeyFZTMGXRMWPKZSR-UHFFFAOYSA-N
MW363.81 g/mol
LogP4.31
Rot. Bonds4

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

N-(3-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide (PubChem CID 109317101) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
PubChem CID109317101
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccnc(Nc2ccccc2C#N)n1
InChIInChI=1S/C19H14ClN5O/c1-12-14(20)6-4-8-15(12)23-18(26)17-9-10-22-19(25-17)24-16-7-3-2-5-13(16)11-21/h2-10H,1H3,(H,23,26)(H,22,24,25)
InChIKeyFZTMGXRMWPKZSR-UHFFFAOYSA-N
XLogP4.31
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109316704
N-(3-chloro-4-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109317314
2-(2-cyanoanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316079
2-(4-chloroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109316972
2-(3-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109316816
N-(3-chloro-4-methoxyphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109317442
2-(3-chloro-2-methylanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109316980
N-(3-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109317094
N-(3-chloro-2-methylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315663
2-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109317339
N-(2-cyanophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109318638
2-(3-chloro-2-methylanilino)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109317062

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide (CID 109317101) is N-(3-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide is Cc1c(Cl)cccc1NC(=O)c1ccnc(Nc2ccccc2C#N)n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide?
The InChIKey is FZTMGXRMWPKZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O/c1-12-14(20)6-4-8-15(12)23-18(26)17-9-10-22-19(25-17)24-16-7-3-2-5-13(16)11-21/h2-10H,1H3,(H,23,26)(H,22,24,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide?
N-(3-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide has a molecular weight of 363.81 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109317101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).