1-ethyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

C13H15N3O — CID 141085829

IUPAC1-ethyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)NCc1ccncc1
InChIInChI=1S/C13H15N3O/c1-2-16-9-3-4-12(16)13(17)15-10-11-5-7-14-8-6-11/h3-9H,2,10H2,1H3,(H,15,17)
InChIKeyWTIXSWDNYUXTJO-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.83
Rot. Bonds4

About 1-ethyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

1-ethyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (PubChem CID 141085829) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-ethyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
PubChem CID141085829
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-ethyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)NCc1ccncc1
InChIInChI=1S/C13H15N3O/c1-2-16-9-3-4-12(16)13(17)15-10-11-5-7-14-8-6-11/h3-9H,2,10H2,1H3,(H,15,17)
InChIKeyWTIXSWDNYUXTJO-UHFFFAOYSA-N
XLogP1.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 61400981
1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]pyrrole-2-carboxylic acid
CID 79325398
2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324258
3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62676590
4-(pyrazol-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 18136267
N-[(3-bromophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 61410236
1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 65231356
N-[(2-hydroxyphenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 114332469
1,4-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 110852155
3-[[(1-propylpyrrole-2-carbonyl)amino]methyl]benzoic acid
CID 60893878
1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]ethanone
CID 79106384
4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 43643164

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-ethyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (CID 141085829) is 1-ethyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is CCn1cccc1C(=O)NCc1ccncc1.
What is the InChIKey of 1-ethyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is WTIXSWDNYUXTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-16-9-3-4-12(16)13(17)15-10-11-5-7-14-8-6-11/h3-9H,2,10H2,1H3,(H,15,17).
What are the key properties of 1-ethyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
1-ethyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 141085829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).