N-[2-[(2-formamidoacetyl)amino]ethyl]pyridine-2-carboxamide

C11H14N4O3 — CID 167083207

IUPACN-[2-[(2-formamidoacetyl)amino]ethyl]pyridine-2-carboxamide
SMILESO=CNCC(=O)NCCNC(=O)c1ccccn1
InChIInChI=1S/C11H14N4O3/c16-8-12-7-10(17)14-5-6-15-11(18)9-3-1-2-4-13-9/h1-4,8H,5-7H2,(H,12,16)(H,14,17)(H,15,18)
InChIKeyPWALIXHCOBDOQA-UHFFFAOYSA-N
MW250.26 g/mol
LogP-1.33
Rot. Bonds7

About N-[2-[(2-formamidoacetyl)amino]ethyl]pyridine-2-carboxamide

N-[2-[(2-formamidoacetyl)amino]ethyl]pyridine-2-carboxamide (PubChem CID 167083207) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is N-[2-[(2-formamidoacetyl)amino]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-formamidoacetyl)amino]ethyl]pyridine-2-carboxamide
PubChem CID167083207
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC NameN-[2-[(2-formamidoacetyl)amino]ethyl]pyridine-2-carboxamide
SMILESO=CNCC(=O)NCCNC(=O)c1ccccn1
InChIInChI=1S/C11H14N4O3/c16-8-12-7-10(17)14-5-6-15-11(18)9-3-1-2-4-13-9/h1-4,8H,5-7H2,(H,12,16)(H,14,17)(H,15,18)
InChIKeyPWALIXHCOBDOQA-UHFFFAOYSA-N
XLogP-1.33
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-[2-[(2-formamidoacetyl)amino]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[(2-formamidoacetyl)amino]ethyl]pyridine-2-carboxamide (CID 167083207) is N-[2-[(2-formamidoacetyl)amino]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(2-formamidoacetyl)amino]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(2-formamidoacetyl)amino]ethyl]pyridine-2-carboxamide is O=CNCC(=O)NCCNC(=O)c1ccccn1.
What is the InChIKey of N-[2-[(2-formamidoacetyl)amino]ethyl]pyridine-2-carboxamide?
The InChIKey is PWALIXHCOBDOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c16-8-12-7-10(17)14-5-6-15-11(18)9-3-1-2-4-13-9/h1-4,8H,5-7H2,(H,12,16)(H,14,17)(H,15,18).
What are the key properties of N-[2-[(2-formamidoacetyl)amino]ethyl]pyridine-2-carboxamide?
N-[2-[(2-formamidoacetyl)amino]ethyl]pyridine-2-carboxamide has a molecular weight of 250.26 g/mol, XLogP of -1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-formamidoacetyl)amino]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 167083207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).