N-(6-amino-2-pyridinyl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide

C21H18N6O — CID 90748739

IUPACN-(6-amino-2-pyridinyl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide
SMILESCC1=NC(C)=C(C#N)C(c2cccc(C(=O)Nc3cccc(N)n3)c2)C1C#N
InChIInChI=1S/C21H18N6O/c1-12-16(10-22)20(17(11-23)13(2)25-12)14-5-3-6-15(9-14)21(28)27-19-8-4-7-18(24)26-19/h3-9,16,20H,1-2H3,(H3,24,26,27,28)
InChIKeyHKCLRABRZPXQAY-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.41
Rot. Bonds3

About N-(6-amino-2-pyridinyl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide

N-(6-amino-2-pyridinyl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide (PubChem CID 90748739) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is N-(6-amino-2-pyridinyl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide.

Molecular Properties

Compound NameN-(6-amino-2-pyridinyl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide
PubChem CID90748739
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC NameN-(6-amino-2-pyridinyl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide
SMILESCC1=NC(C)=C(C#N)C(c2cccc(C(=O)Nc3cccc(N)n3)c2)C1C#N
InChIInChI=1S/C21H18N6O/c1-12-16(10-22)20(17(11-23)13(2)25-12)14-5-3-6-15(9-14)21(28)27-19-8-4-7-18(24)26-19/h3-9,16,20H,1-2H3,(H3,24,26,27,28)
InChIKeyHKCLRABRZPXQAY-UHFFFAOYSA-N
XLogP3.41
TPSA127.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-N-(2-piperidin-4-ylethyl)benzamide
CID 91112447
3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 91613492
N-(1-benzylpiperidin-4-yl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide
CID 91540334
N-[5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-1H-indazol-3-yl]benzamide
CID 91070014
N-(6-amino-2-pyridinyl)-3-[2-[3-[(6-amino-2-pyridinyl)carbamoyl]phenyl]ethyl]benzamide
CID 10983275
2,6-dimethyl-4-(3-methylsulfonyl-2H-indazol-5-yl)-3,4-dihydropyridine-3,5-dicarbonitrile
CID 91470733
tert-butyl 3-amino-5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)indazole-1-carboxylate
CID 91107843
3-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
(4S)-4-(4-ethoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
CID 7392623
3,4-diamino-N-(6-methyl-2-pyridinyl)benzamide
CID 22411201
N-[3-[3,5-dicyano-4-(1H-indazol-5-yl)-2-methyl-3,4-dihydropyridin-6-yl]phenyl]acetamide
CID 91182288
3-(3,5-dicyano-2-methyl-6-phenyl-1,4-dihydropyridin-4-yl)-N-methylbenzamide
CID 69041293

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-pyridinyl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide?
The IUPAC name of N-(6-amino-2-pyridinyl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide (CID 90748739) is N-(6-amino-2-pyridinyl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide.
What is the SMILES notation for N-(6-amino-2-pyridinyl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide?
The canonical SMILES for N-(6-amino-2-pyridinyl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide is CC1=NC(C)=C(C#N)C(c2cccc(C(=O)Nc3cccc(N)n3)c2)C1C#N.
What is the InChIKey of N-(6-amino-2-pyridinyl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide?
The InChIKey is HKCLRABRZPXQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-12-16(10-22)20(17(11-23)13(2)25-12)14-5-3-6-15(9-14)21(28)27-19-8-4-7-18(24)26-19/h3-9,16,20H,1-2H3,(H3,24,26,27,28).
What are the key properties of N-(6-amino-2-pyridinyl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide?
N-(6-amino-2-pyridinyl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide has a molecular weight of 370.42 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-pyridinyl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide is sourced from PubChem (CID 90748739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).