1-(2-formamidoethyl)-2H-pyridine-3-carboxamide

C9H13N3O2 — CID 19897029

IUPAC1-(2-formamidoethyl)-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN(CCNC=O)C1
InChIInChI=1S/C9H13N3O2/c10-9(14)8-2-1-4-12(6-8)5-3-11-7-13/h1-2,4,7H,3,5-6H2,(H2,10,14)(H,11,13)
InChIKeyVFOFTWBLRIXEOH-UHFFFAOYSA-N
MW195.22 g/mol
LogP-1.03
Rot. Bonds5

About 1-(2-formamidoethyl)-2H-pyridine-3-carboxamide

1-(2-formamidoethyl)-2H-pyridine-3-carboxamide (PubChem CID 19897029) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(2-formamidoethyl)-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-formamidoethyl)-2H-pyridine-3-carboxamide
PubChem CID19897029
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-(2-formamidoethyl)-2H-pyridine-3-carboxamide
SMILESNC(=O)C1=CC=CN(CCNC=O)C1
InChIInChI=1S/C9H13N3O2/c10-9(14)8-2-1-4-12(6-8)5-3-11-7-13/h1-2,4,7H,3,5-6H2,(H2,10,14)(H,11,13)
InChIKeyVFOFTWBLRIXEOH-UHFFFAOYSA-N
XLogP-1.03
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-formamidoethyl)-2H-pyridine-3-carboxamide?
The IUPAC name of 1-(2-formamidoethyl)-2H-pyridine-3-carboxamide (CID 19897029) is 1-(2-formamidoethyl)-2H-pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-formamidoethyl)-2H-pyridine-3-carboxamide?
The canonical SMILES for 1-(2-formamidoethyl)-2H-pyridine-3-carboxamide is NC(=O)C1=CC=CN(CCNC=O)C1.
What is the InChIKey of 1-(2-formamidoethyl)-2H-pyridine-3-carboxamide?
The InChIKey is VFOFTWBLRIXEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-9(14)8-2-1-4-12(6-8)5-3-11-7-13/h1-2,4,7H,3,5-6H2,(H2,10,14)(H,11,13).
What are the key properties of 1-(2-formamidoethyl)-2H-pyridine-3-carboxamide?
1-(2-formamidoethyl)-2H-pyridine-3-carboxamide has a molecular weight of 195.22 g/mol, XLogP of -1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-formamidoethyl)-2H-pyridine-3-carboxamide is sourced from PubChem (CID 19897029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).