3-amino-N-(2-pyrrol-1-ylethyl)pyridine-2-carboxamide

C12H14N4O — CID 114182681

IUPAC3-amino-N-(2-pyrrol-1-ylethyl)pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)NCCn1cccc1
InChIInChI=1S/C12H14N4O/c13-10-4-3-5-14-11(10)12(17)15-6-9-16-7-1-2-8-16/h1-5,7-8H,6,9,13H2,(H,15,17)
InChIKeyHIYIWTQWFPZQAN-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.90
Rot. Bonds4

About 3-amino-N-(2-pyrrol-1-ylethyl)pyridine-2-carboxamide

3-amino-N-(2-pyrrol-1-ylethyl)pyridine-2-carboxamide (PubChem CID 114182681) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-amino-N-(2-pyrrol-1-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-pyrrol-1-ylethyl)pyridine-2-carboxamide
PubChem CID114182681
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3-amino-N-(2-pyrrol-1-ylethyl)pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)NCCn1cccc1
InChIInChI=1S/C12H14N4O/c13-10-4-3-5-14-11(10)12(17)15-6-9-16-7-1-2-8-16/h1-5,7-8H,6,9,13H2,(H,15,17)
InChIKeyHIYIWTQWFPZQAN-UHFFFAOYSA-N
XLogP0.90
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106104946
3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
3-amino-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 104740794
3-amino-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 104741064
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 104741450
3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 104742127
3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
CID 104741062
3-amino-N-(2,2-dichloroethyl)pyridine-2-carboxamide
CID 130551892
3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 104742724
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-2-carboxamide
CID 114536613
3-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 104740792

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-pyrrol-1-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-pyrrol-1-ylethyl)pyridine-2-carboxamide (CID 114182681) is 3-amino-N-(2-pyrrol-1-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-pyrrol-1-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-pyrrol-1-ylethyl)pyridine-2-carboxamide is Nc1cccnc1C(=O)NCCn1cccc1.
What is the InChIKey of 3-amino-N-(2-pyrrol-1-ylethyl)pyridine-2-carboxamide?
The InChIKey is HIYIWTQWFPZQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-10-4-3-5-14-11(10)12(17)15-6-9-16-7-1-2-8-16/h1-5,7-8H,6,9,13H2,(H,15,17).
What are the key properties of 3-amino-N-(2-pyrrol-1-ylethyl)pyridine-2-carboxamide?
3-amino-N-(2-pyrrol-1-ylethyl)pyridine-2-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-pyrrol-1-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 114182681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).