N-[3-[6-amino-5-cyano-4-(5-cyano-1-methylpyrrol-3-yl)-2-pyridinyl]phenyl]acetamide

C20H16N6O — CID 56869700

IUPACN-[3-[6-amino-5-cyano-4-(5-cyano-1-methylpyrrol-3-yl)-2-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cc(-c3cc(C#N)n(C)c3)c(C#N)c(N)n2)c1
InChIInChI=1S/C20H16N6O/c1-12(27)24-15-5-3-4-13(6-15)19-8-17(18(10-22)20(23)25-19)14-7-16(9-21)26(2)11-14/h3-8,11H,1-2H3,(H2,23,25)(H,24,27)
InChIKeyWULGDFXACVPDPQ-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.04
Rot. Bonds3

About N-[3-[6-amino-5-cyano-4-(5-cyano-1-methylpyrrol-3-yl)-2-pyridinyl]phenyl]acetamide

N-[3-[6-amino-5-cyano-4-(5-cyano-1-methylpyrrol-3-yl)-2-pyridinyl]phenyl]acetamide (PubChem CID 56869700) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is N-[3-[6-amino-5-cyano-4-(5-cyano-1-methylpyrrol-3-yl)-2-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-amino-5-cyano-4-(5-cyano-1-methylpyrrol-3-yl)-2-pyridinyl]phenyl]acetamide
PubChem CID56869700
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC NameN-[3-[6-amino-5-cyano-4-(5-cyano-1-methylpyrrol-3-yl)-2-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cc(-c3cc(C#N)n(C)c3)c(C#N)c(N)n2)c1
InChIInChI=1S/C20H16N6O/c1-12(27)24-15-5-3-4-13(6-15)19-8-17(18(10-22)20(23)25-19)14-7-16(9-21)26(2)11-14/h3-8,11H,1-2H3,(H2,23,25)(H,24,27)
InChIKeyWULGDFXACVPDPQ-UHFFFAOYSA-N
XLogP3.04
TPSA120.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[6-amino-5-cyano-4-(5-cyano-1-methylpyrrol-3-yl)-2-pyridinyl]phenyl]acetamide with MolForge

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Related Compounds

N-[4-(2-amino-3-cyano-6-phenyl-4-pyridinyl)phenyl]acetamide
CID 3351971
N-[4-(6-amino-5-cyano-4-phenyl-2-pyridinyl)phenyl]acetamide
CID 856313
N-[4-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridinyl]phenyl]acetamide
CID 5153682
N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide;hydrochloride
CID 135456002
3-[6-amino-5-cyano-4-(2-methoxypyrimidin-5-yl)-2-pyridinyl]benzoic acid
CID 56866692
N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-(4-methylpiperazin-1-yl)propanamide;bis(2,2,2-trifluoroacetic acid)
CID 159916888
N-[4-(5-cyano-6-methoxy-4-phenyl-2-pyridinyl)phenyl]acetamide
CID 70924863
N-[3-[6-amino-4-(2-bromophenyl)-5-cyano-2-pyridinyl]phenyl]methanesulfonamide
CID 71625309
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119909
methyl 3-[2-amino-3-cyano-6-(furan-2-yl)-4-pyridinyl]benzoate
CID 56752371
3-[6-amino-5-cyano-4-(4-methylsulfonylphenyl)-2-pyridinyl]benzoic acid
CID 56875045
2-amino-6-(3-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5118241

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-amino-5-cyano-4-(5-cyano-1-methylpyrrol-3-yl)-2-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[3-[6-amino-5-cyano-4-(5-cyano-1-methylpyrrol-3-yl)-2-pyridinyl]phenyl]acetamide (CID 56869700) is N-[3-[6-amino-5-cyano-4-(5-cyano-1-methylpyrrol-3-yl)-2-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-amino-5-cyano-4-(5-cyano-1-methylpyrrol-3-yl)-2-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-amino-5-cyano-4-(5-cyano-1-methylpyrrol-3-yl)-2-pyridinyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cc(-c3cc(C#N)n(C)c3)c(C#N)c(N)n2)c1.
What is the InChIKey of N-[3-[6-amino-5-cyano-4-(5-cyano-1-methylpyrrol-3-yl)-2-pyridinyl]phenyl]acetamide?
The InChIKey is WULGDFXACVPDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c1-12(27)24-15-5-3-4-13(6-15)19-8-17(18(10-22)20(23)25-19)14-7-16(9-21)26(2)11-14/h3-8,11H,1-2H3,(H2,23,25)(H,24,27).
What are the key properties of N-[3-[6-amino-5-cyano-4-(5-cyano-1-methylpyrrol-3-yl)-2-pyridinyl]phenyl]acetamide?
N-[3-[6-amino-5-cyano-4-(5-cyano-1-methylpyrrol-3-yl)-2-pyridinyl]phenyl]acetamide has a molecular weight of 356.39 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-amino-5-cyano-4-(5-cyano-1-methylpyrrol-3-yl)-2-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 56869700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).