4-amino-N-(2-piperidin-1-ylethyl)-1H-pyrrole-2-carboxamide

C12H20N4O — CID 54967566

IUPAC4-amino-N-(2-piperidin-1-ylethyl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)NCCN2CCCCC2)c1
InChIInChI=1S/C12H20N4O/c13-10-8-11(15-9-10)12(17)14-4-7-16-5-2-1-3-6-16/h8-9,15H,1-7,13H2,(H,14,17)
InChIKeyMYCHYEKJAWWHKZ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.81
Rot. Bonds4

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

4-amino-N-(2-piperidin-1-ylethyl)-1H-pyrrole-2-carboxamide (PubChem CID 54967566) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-amino-N-(2-piperidin-1-ylethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-piperidin-1-ylethyl)-1H-pyrrole-2-carboxamide
PubChem CID54967566
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-amino-N-(2-piperidin-1-ylethyl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)NCCN2CCCCC2)c1
InChIInChI=1S/C12H20N4O/c13-10-8-11(15-9-10)12(17)14-4-7-16-5-2-1-3-6-16/h8-9,15H,1-7,13H2,(H,14,17)
InChIKeyMYCHYEKJAWWHKZ-UHFFFAOYSA-N
XLogP0.81
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-piperidin-1-yl-1H-pyrrole-2-carboxamide
CID 83012564
4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carboxamide
CID 63206983
4-amino-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide
CID 63228691
5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 107184833
3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119834336
5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62636573
N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2219273
2-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazole-5-carboxamide
CID 138993912
5-amino-2-bromo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62634342
2-(3-aminophenyl)-N-(2-piperidin-1-ylethyl)acetamide
CID 62500018
5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide
CID 61241531
5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296218

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-piperidin-1-ylethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-piperidin-1-ylethyl)-1H-pyrrole-2-carboxamide (CID 54967566) is 4-amino-N-(2-piperidin-1-ylethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-piperidin-1-ylethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-piperidin-1-ylethyl)-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)NCCN2CCCCC2)c1.
What is the InChIKey of 4-amino-N-(2-piperidin-1-ylethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is MYCHYEKJAWWHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c13-10-8-11(15-9-10)12(17)14-4-7-16-5-2-1-3-6-16/h8-9,15H,1-7,13H2,(H,14,17).
What are the key properties of 4-amino-N-(2-piperidin-1-ylethyl)-1H-pyrrole-2-carboxamide?
4-amino-N-(2-piperidin-1-ylethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-piperidin-1-ylethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 54967566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).