N-[2-(cyclopenta-1,3-dien-1-ylcarbamoylamino)phenyl]-1H-pyrrole-2-carboxamide

C17H16N4O2 — CID 102395215

IUPACN-[2-(cyclopenta-1,3-dien-1-ylcarbamoylamino)phenyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC1=CC=CC1)Nc1ccccc1NC(=O)c1ccc[nH]1
InChIInChI=1S/C17H16N4O2/c22-16(15-10-5-11-18-15)20-13-8-3-4-9-14(13)21-17(23)19-12-6-1-2-7-12/h1-6,8-11,18H,7H2,(H,20,22)(H2,19,21,23)
InChIKeyADPGWZOLTWDSSD-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.23
Rot. Bonds4

About N-[2-(cyclopenta-1,3-dien-1-ylcarbamoylamino)phenyl]-1H-pyrrole-2-carboxamide

N-[2-(cyclopenta-1,3-dien-1-ylcarbamoylamino)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 102395215) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[2-(cyclopenta-1,3-dien-1-ylcarbamoylamino)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopenta-1,3-dien-1-ylcarbamoylamino)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID102395215
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[2-(cyclopenta-1,3-dien-1-ylcarbamoylamino)phenyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC1=CC=CC1)Nc1ccccc1NC(=O)c1ccc[nH]1
InChIInChI=1S/C17H16N4O2/c22-16(15-10-5-11-18-15)20-13-8-3-4-9-14(13)21-17(23)19-12-6-1-2-7-12/h1-6,8-11,18H,7H2,(H,20,22)(H2,19,21,23)
InChIKeyADPGWZOLTWDSSD-UHFFFAOYSA-N
XLogP3.23
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenta-1,3-dien-1-ylcarbamoylamino)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-(cyclopenta-1,3-dien-1-ylcarbamoylamino)phenyl]-1H-pyrrole-2-carboxamide (CID 102395215) is N-[2-(cyclopenta-1,3-dien-1-ylcarbamoylamino)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopenta-1,3-dien-1-ylcarbamoylamino)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(cyclopenta-1,3-dien-1-ylcarbamoylamino)phenyl]-1H-pyrrole-2-carboxamide is O=C(NC1=CC=CC1)Nc1ccccc1NC(=O)c1ccc[nH]1.
What is the InChIKey of N-[2-(cyclopenta-1,3-dien-1-ylcarbamoylamino)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is ADPGWZOLTWDSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-16(15-10-5-11-18-15)20-13-8-3-4-9-14(13)21-17(23)19-12-6-1-2-7-12/h1-6,8-11,18H,7H2,(H,20,22)(H2,19,21,23).
What are the key properties of N-[2-(cyclopenta-1,3-dien-1-ylcarbamoylamino)phenyl]-1H-pyrrole-2-carboxamide?
N-[2-(cyclopenta-1,3-dien-1-ylcarbamoylamino)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenta-1,3-dien-1-ylcarbamoylamino)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 102395215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).