5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide

C11H14N6O — CID 114406596

IUPAC5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide
SMILESCn1ccnc1CNc1nc(C(N)=O)ccc1N
InChIInChI=1S/C11H14N6O/c1-17-5-4-14-9(17)6-15-11-7(12)2-3-8(16-11)10(13)18/h2-5H,6,12H2,1H3,(H2,13,18)(H,15,16)
InChIKeyJLNCLGVAMFSOPW-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.11
Rot. Bonds4

About 5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide

5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide (PubChem CID 114406596) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide
PubChem CID114406596
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide
SMILESCn1ccnc1CNc1nc(C(N)=O)ccc1N
InChIInChI=1S/C11H14N6O/c1-17-5-4-14-9(17)6-15-11-7(12)2-3-8(16-11)10(13)18/h2-5H,6,12H2,1H3,(H2,13,18)(H,15,16)
InChIKeyJLNCLGVAMFSOPW-UHFFFAOYSA-N
XLogP0.11
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine
CID 115320795
5-[(1-methylimidazol-2-yl)methylamino]benzene-1,3-dicarboxamide
CID 62355697
1-N-[(1-methylimidazol-2-yl)methyl]isoquinoline-1,8-diamine
CID 82569926
6-(2-acetamidoethylamino)-5-aminopyridine-2-carboxamide
CID 114405486
2,3-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine
CID 138489685
2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 61220570
5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine
CID 63293701
methyl 3-amino-4-[(1-methylimidazol-2-yl)methylamino]benzoate
CID 63296011
5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile
CID 103468425
6-ethyl-5-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 135118772
5-amino-6-(4-methoxybutylamino)pyridine-2-carboxamide
CID 114406169
8-N-[(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80829250

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide (CID 114406596) is 5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide is Cn1ccnc1CNc1nc(C(N)=O)ccc1N.
What is the InChIKey of 5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide?
The InChIKey is JLNCLGVAMFSOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-17-5-4-14-9(17)6-15-11-7(12)2-3-8(16-11)10(13)18/h2-5H,6,12H2,1H3,(H2,13,18)(H,15,16).
What are the key properties of 5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide?
5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 114406596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).