N-(2-aminoethyl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;methanamine

C13H20N6O — CID 142231842

IUPACN-(2-aminoethyl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;methanamine
SMILESCN.CN(CCN)C(=O)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C12H15N5O.CH5N/c1-16(6-4-13)12(18)10-2-3-11(15-8-10)17-7-5-14-9-17;1-2/h2-3,5,7-9H,4,6,13H2,1H3;2H2,1H3
InChIKeyAFNHHHIMDREGGG-UHFFFAOYSA-N
MW276.34 g/mol
LogP-0.13
Rot. Bonds4

About N-(2-aminoethyl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;methanamine

N-(2-aminoethyl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;methanamine (PubChem CID 142231842) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;methanamine.

Molecular Properties

Compound NameN-(2-aminoethyl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;methanamine
PubChem CID142231842
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC NameN-(2-aminoethyl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;methanamine
SMILESCN.CN(CCN)C(=O)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C12H15N5O.CH5N/c1-16(6-4-13)12(18)10-2-3-11(15-8-10)17-7-5-14-9-17;1-2/h2-3,5,7-9H,4,6,13H2,1H3;2H2,1H3
InChIKeyAFNHHHIMDREGGG-UHFFFAOYSA-N
XLogP-0.13
TPSA103.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-aminopropan-2-yl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;dihydrochloride
CID 119584534
6-imidazol-1-yl-N-methyl-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 99823272
3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 61006797
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
N-(2,2-dimethylpropyl)-6-imidazol-1-yl-N-propan-2-ylpyridine-3-carboxamide
CID 23588390
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 31985384
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 47021778
N-benzyl-N-(2-hydroxyethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 110886459
6-imidazol-1-yl-N-piperidin-4-yl-N-propylpyridine-3-carboxamide
CID 119825756
ethane;6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 142231779
N-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide
CID 110484011
6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 23594782

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;methanamine?
The IUPAC name of N-(2-aminoethyl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;methanamine (CID 142231842) is N-(2-aminoethyl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;methanamine.
What is the SMILES notation for N-(2-aminoethyl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;methanamine?
The canonical SMILES for N-(2-aminoethyl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;methanamine is CN.CN(CCN)C(=O)c1ccc(-n2ccnc2)nc1.
What is the InChIKey of N-(2-aminoethyl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;methanamine?
The InChIKey is AFNHHHIMDREGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O.CH5N/c1-16(6-4-13)12(18)10-2-3-11(15-8-10)17-7-5-14-9-17;1-2/h2-3,5,7-9H,4,6,13H2,1H3;2H2,1H3.
What are the key properties of N-(2-aminoethyl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;methanamine?
N-(2-aminoethyl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;methanamine has a molecular weight of 276.34 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-6-imidazol-1-yl-N-methylpyridine-3-carboxamide;methanamine is sourced from PubChem (CID 142231842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).