N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide

C18H20N4O2 — CID 109225827

IUPACN-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cncc(N3CCCC3)c2)cc1
InChIInChI=1S/C18H20N4O2/c1-13(23)20-15-4-6-16(7-5-15)21-18(24)14-10-17(12-19-11-14)22-8-2-3-9-22/h4-7,10-12H,2-3,8-9H2,1H3,(H,20,23)(H,21,24)
InChIKeyMFOYMKNLKNXQPS-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.89
Rot. Bonds4

About N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide

N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 109225827) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID109225827
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cncc(N3CCCC3)c2)cc1
InChIInChI=1S/C18H20N4O2/c1-13(23)20-15-4-6-16(7-5-15)21-18(24)14-10-17(12-19-11-14)22-8-2-3-9-22/h4-7,10-12H,2-3,8-9H2,1H3,(H,20,23)(H,21,24)
InChIKeyMFOYMKNLKNXQPS-UHFFFAOYSA-N
XLogP2.89
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide
CID 109241376
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590
N-(3-chloro-4-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225803
5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109241366
N-(3-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225773
N-(3,4-dimethoxyphenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226574
N-(4-acetamidophenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102613
N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226552
N-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227284
N-(4-bromophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227293
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226611

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide (CID 109225827) is N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cncc(N3CCCC3)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is MFOYMKNLKNXQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13(23)20-15-4-6-16(7-5-15)21-18(24)14-10-17(12-19-11-14)22-8-2-3-9-22/h4-7,10-12H,2-3,8-9H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 109225827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).