2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide

C15H18N4O3 — CID 25007212

IUPAC2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESCCCOc1ccccc1-c1cc(C(N)=O)c(NC(N)=O)[nH]1
InChIInChI=1S/C15H18N4O3/c1-2-7-22-12-6-4-3-5-9(12)11-8-10(13(16)20)14(18-11)19-15(17)21/h3-6,8,18H,2,7H2,1H3,(H2,16,20)(H3,17,19,21)
InChIKeyLCHYRVVPILYTPG-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.06
Rot. Bonds6

About 2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide

2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 25007212) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide
PubChem CID25007212
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESCCCOc1ccccc1-c1cc(C(N)=O)c(NC(N)=O)[nH]1
InChIInChI=1S/C15H18N4O3/c1-2-7-22-12-6-4-3-5-9(12)11-8-10(13(16)20)14(18-11)19-15(17)21/h3-6,8,18H,2,7H2,1H3,(H2,16,20)(H3,17,19,21)
InChIKeyLCHYRVVPILYTPG-UHFFFAOYSA-N
XLogP2.06
TPSA123.23 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-[4-carbamoyl-5-(carbamoylamino)-1H-pyrrol-2-yl]phenoxy]butanoate
CID 59285985
2-(carbamoylamino)-5-[2-[2-(1-methoxyethoxy)ethoxy]phenyl]-1H-pyrrole-3-carboxamide
CID 67314576
2-(carbamoylamino)-5-(2-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide
CID 59285855
2-(carbamoylamino)-5-[2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-1H-pyrrole-3-carboxamide
CID 25002560
2-(carbamoylamino)-5-[2-(1-pyrrolidin-1-ylpropoxy)phenyl]-1H-pyrrole-3-carboxamide
CID 69008761
formamide;2-(methylamino)-5-[2-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrrole-3-carboxamide
CID 145464614
2-(2-butoxyphenyl)benzamide
CID 174985404
methyl [2-oxo-6-(2-propoxyphenyl)-1H-pyridin-3-yl] carbonate
CID 23167499
2-[amino(formyl)amino]-5-(5-fluoro-2-propoxyphenyl)-1H-pyrrole-3-carboxamide
CID 174600122
2-(carbamoylamino)-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide
CID 25005711
N-[6-oxo-2-(2-propoxyphenyl)-1H-pyrimidin-4-yl]propanamide
CID 135482146
2-phenyl-6-propoxybenzamide
CID 57275841

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide (CID 25007212) is 2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide is CCCOc1ccccc1-c1cc(C(N)=O)c(NC(N)=O)[nH]1.
What is the InChIKey of 2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is LCHYRVVPILYTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-2-7-22-12-6-4-3-5-9(12)11-8-10(13(16)20)14(18-11)19-15(17)21/h3-6,8,18H,2,7H2,1H3,(H2,16,20)(H3,17,19,21).
What are the key properties of 2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide?
2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 25007212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).