4-acetyl-N-(1-pyridin-3-ylethyl)-1H-pyrrole-2-carboxamide

C14H15N3O2 — CID 18163101

IUPAC4-acetyl-N-(1-pyridin-3-ylethyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NC(C)c2cccnc2)c1
InChIInChI=1S/C14H15N3O2/c1-9(11-4-3-5-15-7-11)17-14(19)13-6-12(8-16-13)10(2)18/h3-9,16H,1-2H3,(H,17,19)
InChIKeyJHTNUUGSGNTDJH-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.10
Rot. Bonds4

About 4-acetyl-N-(1-pyridin-3-ylethyl)-1H-pyrrole-2-carboxamide

4-acetyl-N-(1-pyridin-3-ylethyl)-1H-pyrrole-2-carboxamide (PubChem CID 18163101) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-acetyl-N-(1-pyridin-3-ylethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(1-pyridin-3-ylethyl)-1H-pyrrole-2-carboxamide
PubChem CID18163101
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-acetyl-N-(1-pyridin-3-ylethyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NC(C)c2cccnc2)c1
InChIInChI=1S/C14H15N3O2/c1-9(11-4-3-5-15-7-11)17-14(19)13-6-12(8-16-13)10(2)18/h3-9,16H,1-2H3,(H,17,19)
InChIKeyJHTNUUGSGNTDJH-UHFFFAOYSA-N
XLogP2.10
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974
4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 82833170
3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid
CID 43523910
4-bromo-N-(1-pyridin-3-ylethyl)benzamide
CID 18162969
3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 110724487
5-bromo-N-[(1R)-1-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 51546891
N-(1-pyridin-3-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997950
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43419974
4-(dimethylamino)-N-(1-pyridin-3-ylethyl)benzamide
CID 51192997
3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 81443089

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(1-pyridin-3-ylethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(1-pyridin-3-ylethyl)-1H-pyrrole-2-carboxamide (CID 18163101) is 4-acetyl-N-(1-pyridin-3-ylethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(1-pyridin-3-ylethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(1-pyridin-3-ylethyl)-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)NC(C)c2cccnc2)c1.
What is the InChIKey of 4-acetyl-N-(1-pyridin-3-ylethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is JHTNUUGSGNTDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9(11-4-3-5-15-7-11)17-14(19)13-6-12(8-16-13)10(2)18/h3-9,16H,1-2H3,(H,17,19).
What are the key properties of 4-acetyl-N-(1-pyridin-3-ylethyl)-1H-pyrrole-2-carboxamide?
4-acetyl-N-(1-pyridin-3-ylethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(1-pyridin-3-ylethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18163101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).