N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide

C10H11N3O — CID 110445345

IUPACN-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C10H11N3O/c14-10(9-4-2-6-12-9)13-7-8-3-1-5-11-8/h1-6,11-12H,7H2,(H,13,14)
InChIKeyIYHHINYXLSWPOZ-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.27
Rot. Bonds3

About N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide

N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 110445345) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID110445345
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C10H11N3O/c14-10(9-4-2-6-12-9)13-7-8-3-1-5-11-8/h1-6,11-12H,7H2,(H,13,14)
InChIKeyIYHHINYXLSWPOZ-UHFFFAOYSA-N
XLogP1.27
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
CID 126500406
2,6-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110468489
N-[(4-aminophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 110480990
N-(1H-pyrrol-2-ylmethyl)furan-2-carboxamide
CID 110374911
N-(1H-pyrrol-2-ylmethyl)thiophene-2-carboxamide
CID 71684218
N'-(1H-pyrrol-2-ylmethyl)oxamide
CID 115191836
N-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide
CID 115167176
N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 63311038
N-(1H-pyrrol-2-ylmethyl)naphthalene-1-carboxamide
CID 110440178
2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 110374909
3,4-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110445664
N-(2-amino-2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 81483032

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide (CID 110445345) is N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide is O=C(NCc1ccc[nH]1)c1ccc[nH]1.
What is the InChIKey of N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is IYHHINYXLSWPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c14-10(9-4-2-6-12-9)13-7-8-3-1-5-11-8/h1-6,11-12H,7H2,(H,13,14).
What are the key properties of N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide?
N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 189.22 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 110445345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).