4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide

C11H13N5O — CID 81242142

IUPAC4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCn1ccnc1CNC(=O)c1cnccc1N
InChIInChI=1S/C11H13N5O/c1-16-5-4-14-10(16)7-15-11(17)8-6-13-3-2-9(8)12/h2-6H,7H2,1H3,(H2,12,13)(H,15,17)
InChIKeyUNLPNOBNMDOZJH-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.33
Rot. Bonds3

About 4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide

4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 81242142) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
PubChem CID81242142
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCn1ccnc1CNC(=O)c1cnccc1N
InChIInChI=1S/C11H13N5O/c1-16-5-4-14-10(16)7-15-11(17)8-6-13-3-2-9(8)12/h2-6H,7H2,1H3,(H2,12,13)(H,15,17)
InChIKeyUNLPNOBNMDOZJH-UHFFFAOYSA-N
XLogP0.33
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 81242971
2-amino-4-bromo-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 79721607
2,4-diamino-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63296114
2-amino-3-bromo-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 110451079
3-(3-hydroxyprop-1-ynyl)-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 66483848
6-amino-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 114035922
2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63237643
N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide
CID 110440177
2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168082
4-amino-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 123975381
4-amino-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63295986
5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63235961

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide (CID 81242142) is 4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide is Cn1ccnc1CNC(=O)c1cnccc1N.
What is the InChIKey of 4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is UNLPNOBNMDOZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-16-5-4-14-10(16)7-15-11(17)8-6-13-3-2-9(8)12/h2-6H,7H2,1H3,(H2,12,13)(H,15,17).
What are the key properties of 4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide?
4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 81242142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).