4-amino-N-(2-propylphenyl)-1H-pyrrole-2-carboxamide

C14H17N3O — CID 54963208

IUPAC4-amino-N-(2-propylphenyl)-1H-pyrrole-2-carboxamide
SMILESCCCc1ccccc1NC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C14H17N3O/c1-2-5-10-6-3-4-7-12(10)17-14(18)13-8-11(15)9-16-13/h3-4,6-9,16H,2,5,15H2,1H3,(H,17,18)
InChIKeyHHQCMJHKZMMMCD-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.80
Rot. Bonds4

About 4-amino-N-(2-propylphenyl)-1H-pyrrole-2-carboxamide

4-amino-N-(2-propylphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 54963208) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-amino-N-(2-propylphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-propylphenyl)-1H-pyrrole-2-carboxamide
PubChem CID54963208
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-amino-N-(2-propylphenyl)-1H-pyrrole-2-carboxamide
SMILESCCCc1ccccc1NC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C14H17N3O/c1-2-5-10-6-3-4-7-12(10)17-14(18)13-8-11(15)9-16-13/h3-4,6-9,16H,2,5,15H2,1H3,(H,17,18)
InChIKeyHHQCMJHKZMMMCD-UHFFFAOYSA-N
XLogP2.80
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2,6-diethylphenyl)-1H-pyrrole-2-carboxamide
CID 43642713
4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43642725
4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
CID 43642811
4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide
CID 43643909
4-amino-N-(2-phenylphenyl)-1H-pyrrole-2-carboxamide
CID 43642657
3-amino-4-chloro-N-(2-propylphenyl)benzamide
CID 43703947
4-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 104616213
ethane;N-(2-propylphenyl)acetamide
CID 142804217
3,5-diacetamido-N-(2-propylphenyl)benzamide
CID 31869884
3,4,5-trifluoro-N-(2-propylphenyl)benzamide
CID 63188626
4-(bromomethyl)-N-(2-propylphenyl)benzamide
CID 102851108
N-(2-propylphenyl)-1H-indole-5-carboxamide
CID 63717145

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-propylphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-propylphenyl)-1H-pyrrole-2-carboxamide (CID 54963208) is 4-amino-N-(2-propylphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-propylphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-propylphenyl)-1H-pyrrole-2-carboxamide is CCCc1ccccc1NC(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-(2-propylphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is HHQCMJHKZMMMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-5-10-6-3-4-7-12(10)17-14(18)13-8-11(15)9-16-13/h3-4,6-9,16H,2,5,15H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-(2-propylphenyl)-1H-pyrrole-2-carboxamide?
4-amino-N-(2-propylphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-propylphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 54963208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).