N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide

C18H20N4O2 — CID 109203936

IUPACN-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(N3CCCC3)ccn2)cc1
InChIInChI=1S/C18H20N4O2/c1-13(23)20-14-4-6-15(7-5-14)21-18(24)17-12-16(8-9-19-17)22-10-2-3-11-22/h4-9,12H,2-3,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyIQDUUTXMJPMHBF-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.89
Rot. Bonds4

About N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide

N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 109203936) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID109203936
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(N3CCCC3)ccn2)cc1
InChIInChI=1S/C18H20N4O2/c1-13(23)20-14-4-6-15(7-5-14)21-18(24)17-12-16(8-9-19-17)22-10-2-3-11-22/h4-9,12H,2-3,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyIQDUUTXMJPMHBF-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

4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109218660
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
N-(4-ethylphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204642
4-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109218677
N-(4-ethoxyphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204671
N-(3-acetylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203933
4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109204680
N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203985
4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218267
N-[4-(difluoromethylsulfanyl)phenyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112773659
N-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112773692
N-(3-methoxyphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203921

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide (CID 109203936) is N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(N3CCCC3)ccn2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is IQDUUTXMJPMHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13(23)20-14-4-6-15(7-5-14)21-18(24)17-12-16(8-9-19-17)22-10-2-3-11-22/h4-9,12H,2-3,10-11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-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)-4-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 109203936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).