6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide

C11H13N5O — CID 64519117

IUPAC6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccc(N)nc1
InChIInChI=1S/C11H13N5O/c1-16(7-10-13-4-5-14-10)11(17)8-2-3-9(12)15-6-8/h2-6H,7H2,1H3,(H2,12,15)(H,13,14)
InChIKeyVSKGZBIETGHSID-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.66
Rot. Bonds3

About 6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide

6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide (PubChem CID 64519117) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide
PubChem CID64519117
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)c1ccc(N)nc1
InChIInChI=1S/C11H13N5O/c1-16(7-10-13-4-5-14-10)11(17)8-2-3-9(12)15-6-8/h2-6H,7H2,1H3,(H2,12,15)(H,13,14)
InChIKeyVSKGZBIETGHSID-UHFFFAOYSA-N
XLogP0.66
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-6-methoxy-N-methylpyridine-3-carboxamide
CID 63930568
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 50954561
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide
CID 56740870
6-amino-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62156193
N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999017
3-amino-4-ethoxy-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64512332
6-amino-N-(1H-imidazol-2-ylmethyl)pyridine-3-carboxamide
CID 64525972
3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide
CID 103736159
4-amino-N-(1H-imidazol-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 81245737
3-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64516965
2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 63929110

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide (CID 64519117) is 6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide is CN(Cc1ncc[nH]1)C(=O)c1ccc(N)nc1.
What is the InChIKey of 6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide?
The InChIKey is VSKGZBIETGHSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-16(7-10-13-4-5-14-10)11(17)8-2-3-9(12)15-6-8/h2-6H,7H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of 6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide?
6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 64519117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).