4-[(1-methylimidazol-4-yl)amino]pyridine-3-carboxamide

C10H11N5O — CID 140896433

IUPAC4-[(1-methylimidazol-4-yl)amino]pyridine-3-carboxamide
SMILESCn1cnc(Nc2ccncc2C(N)=O)c1
InChIInChI=1S/C10H11N5O/c1-15-5-9(13-6-15)14-8-2-3-12-4-7(8)10(11)16/h2-6H,1H3,(H2,11,16)(H,12,14)
InChIKeyGVSFTNNSUYFHLY-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.66
Rot. Bonds3

About 4-[(1-methylimidazol-4-yl)amino]pyridine-3-carboxamide

4-[(1-methylimidazol-4-yl)amino]pyridine-3-carboxamide (PubChem CID 140896433) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-[(1-methylimidazol-4-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(1-methylimidazol-4-yl)amino]pyridine-3-carboxamide
PubChem CID140896433
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name4-[(1-methylimidazol-4-yl)amino]pyridine-3-carboxamide
SMILESCn1cnc(Nc2ccncc2C(N)=O)c1
InChIInChI=1S/C10H11N5O/c1-15-5-9(13-6-15)14-8-2-3-12-4-7(8)10(11)16/h2-6H,1H3,(H2,11,16)(H,12,14)
InChIKeyGVSFTNNSUYFHLY-UHFFFAOYSA-N
XLogP0.66
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-4-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 4-[(1-methylimidazol-4-yl)amino]pyridine-3-carboxamide (CID 140896433) is 4-[(1-methylimidazol-4-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[(1-methylimidazol-4-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[(1-methylimidazol-4-yl)amino]pyridine-3-carboxamide is Cn1cnc(Nc2ccncc2C(N)=O)c1.
What is the InChIKey of 4-[(1-methylimidazol-4-yl)amino]pyridine-3-carboxamide?
The InChIKey is GVSFTNNSUYFHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-15-5-9(13-6-15)14-8-2-3-12-4-7(8)10(11)16/h2-6H,1H3,(H2,11,16)(H,12,14).
What are the key properties of 4-[(1-methylimidazol-4-yl)amino]pyridine-3-carboxamide?
4-[(1-methylimidazol-4-yl)amino]pyridine-3-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-4-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 140896433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).