N-(5-amino-6-methyl-3-pyridinyl)-4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)benzamide

C19H22N4O — CID 168867058

IUPACN-(5-amino-6-methyl-3-pyridinyl)-4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)benzamide
SMILESCc1ncc(NC(=O)c2ccc(C3=CC(C)(C)CN3)cc2)cc1N
InChIInChI=1S/C19H22N4O/c1-12-16(20)8-15(10-21-12)23-18(24)14-6-4-13(5-7-14)17-9-19(2,3)11-22-17/h4-10,22H,11,20H2,1-3H3,(H,23,24)
InChIKeyXAXSWNITUANZIM-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.19
Rot. Bonds3

About N-(5-amino-6-methyl-3-pyridinyl)-4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)benzamide

N-(5-amino-6-methyl-3-pyridinyl)-4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)benzamide (PubChem CID 168867058) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(5-amino-6-methyl-3-pyridinyl)-4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)benzamide.

Molecular Properties

Compound NameN-(5-amino-6-methyl-3-pyridinyl)-4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)benzamide
PubChem CID168867058
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-(5-amino-6-methyl-3-pyridinyl)-4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)benzamide
SMILESCc1ncc(NC(=O)c2ccc(C3=CC(C)(C)CN3)cc2)cc1N
InChIInChI=1S/C19H22N4O/c1-12-16(20)8-15(10-21-12)23-18(24)14-6-4-13(5-7-14)17-9-19(2,3)11-22-17/h4-10,22H,11,20H2,1-3H3,(H,23,24)
InChIKeyXAXSWNITUANZIM-UHFFFAOYSA-N
XLogP3.19
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)-N-(6-methyl-5-nitro-3-pyridinyl)benzamide
CID 175889009
3-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)-N-[6-methoxy-5-(1-methyl-7-methylsulfanyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)-3-pyridinyl]benzamide
CID 168867057
N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
CID 113267904
4-amino-3-methyl-N-(2-methyl-4-pyridinyl)benzamide
CID 79234917
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
4-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 110727246
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
3-amino-N-(3-amino-4-hydroxyphenyl)-4-hydroxybenzamide
CID 142370763
N-(6-amino-3-pyridinyl)-4-hydroxybenzamide
CID 62900503
4-amino-N-(6-fluoro-3-pyridinyl)-3-hydroxybenzamide
CID 114052645
N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113017060

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-6-methyl-3-pyridinyl)-4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)benzamide?
The IUPAC name of N-(5-amino-6-methyl-3-pyridinyl)-4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)benzamide (CID 168867058) is N-(5-amino-6-methyl-3-pyridinyl)-4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)benzamide.
What is the SMILES notation for N-(5-amino-6-methyl-3-pyridinyl)-4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)benzamide?
The canonical SMILES for N-(5-amino-6-methyl-3-pyridinyl)-4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)benzamide is Cc1ncc(NC(=O)c2ccc(C3=CC(C)(C)CN3)cc2)cc1N.
What is the InChIKey of N-(5-amino-6-methyl-3-pyridinyl)-4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)benzamide?
The InChIKey is XAXSWNITUANZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-12-16(20)8-15(10-21-12)23-18(24)14-6-4-13(5-7-14)17-9-19(2,3)11-22-17/h4-10,22H,11,20H2,1-3H3,(H,23,24).
What are the key properties of N-(5-amino-6-methyl-3-pyridinyl)-4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)benzamide?
N-(5-amino-6-methyl-3-pyridinyl)-4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)benzamide has a molecular weight of 322.41 g/mol, XLogP of 3.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-6-methyl-3-pyridinyl)-4-(3,3-dimethyl-1,2-dihydropyrrol-5-yl)benzamide is sourced from PubChem (CID 168867058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).