N-(5-amino-6-methyl-2-pyridinyl)-4-pyrrol-1-ylbenzamide

C17H16N4O — CID 82330985

IUPACN-(5-amino-6-methyl-2-pyridinyl)-4-pyrrol-1-ylbenzamide
SMILESCc1nc(NC(=O)c2ccc(-n3cccc3)cc2)ccc1N
InChIInChI=1S/C17H16N4O/c1-12-15(18)8-9-16(19-12)20-17(22)13-4-6-14(7-5-13)21-10-2-3-11-21/h2-11H,18H2,1H3,(H,19,20,22)
InChIKeyILBZNWHQRWTDBD-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.02
Rot. Bonds3

About N-(5-amino-6-methyl-2-pyridinyl)-4-pyrrol-1-ylbenzamide

N-(5-amino-6-methyl-2-pyridinyl)-4-pyrrol-1-ylbenzamide (PubChem CID 82330985) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(5-amino-6-methyl-2-pyridinyl)-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(5-amino-6-methyl-2-pyridinyl)-4-pyrrol-1-ylbenzamide
PubChem CID82330985
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-(5-amino-6-methyl-2-pyridinyl)-4-pyrrol-1-ylbenzamide
SMILESCc1nc(NC(=O)c2ccc(-n3cccc3)cc2)ccc1N
InChIInChI=1S/C17H16N4O/c1-12-15(18)8-9-16(19-12)20-17(22)13-4-6-14(7-5-13)21-10-2-3-11-21/h2-11H,18H2,1H3,(H,19,20,22)
InChIKeyILBZNWHQRWTDBD-UHFFFAOYSA-N
XLogP3.02
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-6-methyl-2-pyridinyl)benzamide
CID 82330924
N-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide
CID 47255659
N-(5-amino-6-methyl-2-pyridinyl)propanamide
CID 82330911
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-pyrrol-1-ylbenzamide
CID 122356909
N-(5-methyl-3-pyridinyl)-4-pyrrol-1-ylbenzamide
CID 110744355
N-(5-amino-6-methyl-2-pyridinyl)-2,3,4-trifluorobenzamide
CID 82330987
N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide
CID 39337548
N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]-4-pyrrol-1-ylbenzamide
CID 56536302
N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide
CID 58487185
3,4-diamino-N-(6-methyl-2-pyridinyl)benzamide
CID 22411201
2-[(4-pyrrol-1-ylbenzoyl)amino]benzoic acid
CID 45340861
N-(5-amino-6-methyl-2-pyridinyl)-2-chloro-6-fluorobenzamide
CID 82330961

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-6-methyl-2-pyridinyl)-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-(5-amino-6-methyl-2-pyridinyl)-4-pyrrol-1-ylbenzamide (CID 82330985) is N-(5-amino-6-methyl-2-pyridinyl)-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(5-amino-6-methyl-2-pyridinyl)-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(5-amino-6-methyl-2-pyridinyl)-4-pyrrol-1-ylbenzamide is Cc1nc(NC(=O)c2ccc(-n3cccc3)cc2)ccc1N.
What is the InChIKey of N-(5-amino-6-methyl-2-pyridinyl)-4-pyrrol-1-ylbenzamide?
The InChIKey is ILBZNWHQRWTDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12-15(18)8-9-16(19-12)20-17(22)13-4-6-14(7-5-13)21-10-2-3-11-21/h2-11H,18H2,1H3,(H,19,20,22).
What are the key properties of N-(5-amino-6-methyl-2-pyridinyl)-4-pyrrol-1-ylbenzamide?
N-(5-amino-6-methyl-2-pyridinyl)-4-pyrrol-1-ylbenzamide has a molecular weight of 292.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-6-methyl-2-pyridinyl)-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 82330985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).