4-(propanoylamino)-N-propan-2-yl-1H-pyrrole-2-carboxamide

C11H17N3O2 — CID 142333117

IUPAC4-(propanoylamino)-N-propan-2-yl-1H-pyrrole-2-carboxamide
SMILESCCC(=O)Nc1c[nH]c(C(=O)NC(C)C)c1
InChIInChI=1S/C11H17N3O2/c1-4-10(15)14-8-5-9(12-6-8)11(16)13-7(2)3/h5-7,12H,4H2,1-3H3,(H,13,16)(H,14,15)
InChIKeySYMPCOZKRTZOOD-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.50
Rot. Bonds4

About 4-(propanoylamino)-N-propan-2-yl-1H-pyrrole-2-carboxamide

4-(propanoylamino)-N-propan-2-yl-1H-pyrrole-2-carboxamide (PubChem CID 142333117) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(propanoylamino)-N-propan-2-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(propanoylamino)-N-propan-2-yl-1H-pyrrole-2-carboxamide
PubChem CID142333117
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(propanoylamino)-N-propan-2-yl-1H-pyrrole-2-carboxamide
SMILESCCC(=O)Nc1c[nH]c(C(=O)NC(C)C)c1
InChIInChI=1S/C11H17N3O2/c1-4-10(15)14-8-5-9(12-6-8)11(16)13-7(2)3/h5-7,12H,4H2,1-3H3,(H,13,16)(H,14,15)
InChIKeySYMPCOZKRTZOOD-UHFFFAOYSA-N
XLogP1.50
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(propan-2-ylamino)phenyl]propanamide
CID 43720685
4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide
CID 43641940
5-(butanoylamino)-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11358197
N-(2-oxo-1H-pyrimidin-5-yl)propanamide
CID 130249603
3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731
2-[3-(propanoylamino)anilino]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 141470778
4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide
CID 131895786
4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide
CID 55847127
4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54832994
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079
(2S,3S)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-3-methylpentanoic acid
CID 61132584
N-propan-2-yl-1H-pyrrole-2-carboxamide
CID 18712343

Frequently Asked Questions

What is the IUPAC name of 4-(propanoylamino)-N-propan-2-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(propanoylamino)-N-propan-2-yl-1H-pyrrole-2-carboxamide (CID 142333117) is 4-(propanoylamino)-N-propan-2-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(propanoylamino)-N-propan-2-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(propanoylamino)-N-propan-2-yl-1H-pyrrole-2-carboxamide is CCC(=O)Nc1c[nH]c(C(=O)NC(C)C)c1.
What is the InChIKey of 4-(propanoylamino)-N-propan-2-yl-1H-pyrrole-2-carboxamide?
The InChIKey is SYMPCOZKRTZOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-10(15)14-8-5-9(12-6-8)11(16)13-7(2)3/h5-7,12H,4H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 4-(propanoylamino)-N-propan-2-yl-1H-pyrrole-2-carboxamide?
4-(propanoylamino)-N-propan-2-yl-1H-pyrrole-2-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propanoylamino)-N-propan-2-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 142333117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).