4-amino-N-octan-4-yl-1H-pyrrole-2-carboxamide

C13H23N3O — CID 106021614

IUPAC4-amino-N-octan-4-yl-1H-pyrrole-2-carboxamide
SMILESCCCCC(CCC)NC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C13H23N3O/c1-3-5-7-11(6-4-2)16-13(17)12-8-10(14)9-15-12/h8-9,11,15H,3-7,14H2,1-2H3,(H,16,17)
InChIKeyAKGFVOANGUCBMV-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.69
Rot. Bonds7

About 4-amino-N-octan-4-yl-1H-pyrrole-2-carboxamide

4-amino-N-octan-4-yl-1H-pyrrole-2-carboxamide (PubChem CID 106021614) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-amino-N-octan-4-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-octan-4-yl-1H-pyrrole-2-carboxamide
PubChem CID106021614
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-amino-N-octan-4-yl-1H-pyrrole-2-carboxamide
SMILESCCCCC(CCC)NC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C13H23N3O/c1-3-5-7-11(6-4-2)16-13(17)12-8-10(14)9-15-12/h8-9,11,15H,3-7,14H2,1-2H3,(H,16,17)
InChIKeyAKGFVOANGUCBMV-UHFFFAOYSA-N
XLogP2.69
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide
CID 43641940
4-bromo-N-hexan-3-yl-1H-pyrrole-2-carboxamide
CID 62047480
5-amino-2-bromo-N-octan-4-ylbenzamide
CID 106021624
5-amino-2,4-dimethyl-N-octan-4-ylbenzamide
CID 106021805
2-amino-4-methyl-N-octan-4-ylbenzamide
CID 106027828
4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrrole-2-carboxamide
CID 82945173
3-amino-N-hexan-3-yl-1H-pyrazole-5-carboxamide
CID 64525274
2-amino-5-methyl-N-octan-4-ylbenzamide
CID 106021787
4-amino-2-methoxy-N-octan-4-ylbenzamide
CID 106021761
5-amino-N-octan-4-yl-1-benzofuran-2-carboxamide
CID 106021592
2-amino-4-bromo-N-octan-4-ylbenzamide
CID 102978718
N-(1-methoxypentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65381999

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-octan-4-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-octan-4-yl-1H-pyrrole-2-carboxamide (CID 106021614) is 4-amino-N-octan-4-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-octan-4-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-octan-4-yl-1H-pyrrole-2-carboxamide is CCCCC(CCC)NC(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-octan-4-yl-1H-pyrrole-2-carboxamide?
The InChIKey is AKGFVOANGUCBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-5-7-11(6-4-2)16-13(17)12-8-10(14)9-15-12/h8-9,11,15H,3-7,14H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-octan-4-yl-1H-pyrrole-2-carboxamide?
4-amino-N-octan-4-yl-1H-pyrrole-2-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 2.69, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-octan-4-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 106021614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).