4-(cyclopropanecarbonyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide

C17H18N2O3 — CID 1489263

IUPAC4-(cyclopropanecarbonyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C(=O)C3CC3)c[nH]2)cc1
InChIInChI=1S/C17H18N2O3/c1-22-14-6-2-11(3-7-14)9-19-17(21)15-8-13(10-18-15)16(20)12-4-5-12/h2-3,6-8,10,12,18H,4-5,9H2,1H3,(H,19,21)
InChIKeyCTRXMCCBXJKMGI-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.55
Rot. Bonds6

About 4-(cyclopropanecarbonyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide

4-(cyclopropanecarbonyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 1489263) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID1489263
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name4-(cyclopropanecarbonyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C(=O)C3CC3)c[nH]2)cc1
InChIInChI=1S/C17H18N2O3/c1-22-14-6-2-11(3-7-14)9-19-17(21)15-8-13(10-18-15)16(20)12-4-5-12/h2-3,6-8,10,12,18H,4-5,9H2,1H3,(H,19,21)
InChIKeyCTRXMCCBXJKMGI-UHFFFAOYSA-N
XLogP2.55
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrrolopyridine, 29
CID 16720207
6-Methyl-4-(2-Phenoxyphenyl)-1,6-Dihydro-7h-Pyrrolo[2,3-C]pyridin-7-One
CID 71616297
3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 118498201
7-fluoro-3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 118498266
4-acetyl-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 1489221
N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2-pyrrolecarboxamide
CID 24820011
1-(1H-Indol-3-ylcarbonyl)-N-(4-methoxybenzyl)formamide
CID 1588018
N-(furan-2-ylmethyl)-4-[(2-methylphenyl)carbonyl]-1H-pyrrole-2-carboxamide
CID 1489193
(1R,12S)-3-acetyl-10-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-4-methyl-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one
CID 10739865
4-acetyl-N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866996
4-acetyl-N-(2-methoxybenzyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 867006
Pyridine-2-carboxylic acid [3-(4-isopropoxy-benzoylamino)-propyl]-amide
CID 2985370

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide (CID 1489263) is 4-(cyclopropanecarbonyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide is COc1ccc(CNC(=O)c2cc(C(=O)C3CC3)c[nH]2)cc1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is CTRXMCCBXJKMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-22-14-6-2-11(3-7-14)9-19-17(21)15-8-13(10-18-15)16(20)12-4-5-12/h2-3,6-8,10,12,18H,4-5,9H2,1H3,(H,19,21).
What are the key properties of 4-(cyclopropanecarbonyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
4-(cyclopropanecarbonyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 1489263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).