N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide

C21H19N5O2 — CID 109329155

IUPACN-(3-cyanophenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1CNc1nc(C)cc(C(=O)Nc2cccc(C#N)c2)n1
InChIInChI=1S/C21H19N5O2/c1-14-10-18(20(27)25-17-8-5-6-15(11-17)12-22)26-21(24-14)23-13-16-7-3-4-9-19(16)28-2/h3-11H,13H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyWBKSUAVUVOGYKJ-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.53
Rot. Bonds6

About N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide

N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide (PubChem CID 109329155) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
PubChem CID109329155
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-(3-cyanophenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1CNc1nc(C)cc(C(=O)Nc2cccc(C#N)c2)n1
InChIInChI=1S/C21H19N5O2/c1-14-10-18(20(27)25-17-8-5-6-15(11-17)12-22)26-21(24-14)23-13-16-7-3-4-9-19(16)28-2/h3-11H,13H2,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyWBKSUAVUVOGYKJ-UHFFFAOYSA-N
XLogP3.53
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyanophenyl)-6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370268
N-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329140
2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334617
N-(3-chlorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330950
N-(3-cyanophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325549
2-(3-cyanoanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337603
N-(3,4-dimethoxyphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328498
2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336643
2-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306327
N-(3-cyanophenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317549
N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330945
N-(3-fluorophenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327437

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide (CID 109329155) is N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide is COc1ccccc1CNc1nc(C)cc(C(=O)Nc2cccc(C#N)c2)n1.
What is the InChIKey of N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
The InChIKey is WBKSUAVUVOGYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-14-10-18(20(27)25-17-8-5-6-15(11-17)12-22)26-21(24-14)23-13-16-7-3-4-9-19(16)28-2/h3-11H,13H2,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide?
N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109329155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).