N-(3-chloro-4-methoxyphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide

C19H14ClN5O2 — CID 109358631

IUPACN-(3-chloro-4-methoxyphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3ccc(C#N)cc3)ncn2)cc1Cl
InChIInChI=1S/C19H14ClN5O2/c1-27-17-7-6-14(8-15(17)20)25-19(26)16-9-18(23-11-22-16)24-13-4-2-12(10-21)3-5-13/h2-9,11H,1H3,(H,25,26)(H,22,23,24)
InChIKeyYBOGRTJPKXXYFX-UHFFFAOYSA-N
MW379.81 g/mol
LogP4.01
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide (PubChem CID 109358631) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
PubChem CID109358631
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3ccc(C#N)cc3)ncn2)cc1Cl
InChIInChI=1S/C19H14ClN5O2/c1-27-17-7-6-14(8-15(17)20)25-19(26)16-9-18(23-11-22-16)24-13-4-2-12(10-21)3-5-13/h2-9,11H,1H3,(H,25,26)(H,22,23,24)
InChIKeyYBOGRTJPKXXYFX-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

6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355828
6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356291
6-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109359281
N-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109358617
N-(3-chlorophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358217
6-(4-cyanoanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357075
6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359086
6-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109358549
N-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358687
N-(4-cyanophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357985
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109359568
6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109355744

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide (CID 109358631) is N-(3-chloro-4-methoxyphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(Nc3ccc(C#N)cc3)ncn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide?
The InChIKey is YBOGRTJPKXXYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c1-27-17-7-6-14(8-15(17)20)25-19(26)16-9-18(23-11-22-16)24-13-4-2-12(10-21)3-5-13/h2-9,11H,1H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-6-(4-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)-6-(4-cyanoanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).