N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,6-dimethoxypyridine-3-carboxamide

C17H17N5O3 — CID 42512706

IUPACN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,6-dimethoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2cccnc2-n2ccnc2)c(OC)n1
InChIInChI=1S/C17H17N5O3/c1-24-14-6-5-13(17(21-14)25-2)16(23)20-10-12-4-3-7-19-15(12)22-9-8-18-11-22/h3-9,11H,10H2,1-2H3,(H,20,23)
InChIKeyJKFUTUQXHJMQJK-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.61
Rot. Bonds6

About N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,6-dimethoxypyridine-3-carboxamide

N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,6-dimethoxypyridine-3-carboxamide (PubChem CID 42512706) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,6-dimethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,6-dimethoxypyridine-3-carboxamide
PubChem CID42512706
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,6-dimethoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2cccnc2-n2ccnc2)c(OC)n1
InChIInChI=1S/C17H17N5O3/c1-24-14-6-5-13(17(21-14)25-2)16(23)20-10-12-4-3-7-19-15(12)22-9-8-18-11-22/h3-9,11H,10H2,1-2H3,(H,20,23)
InChIKeyJKFUTUQXHJMQJK-UHFFFAOYSA-N
XLogP1.61
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide;dihydrochloride
CID 119848231
2,6-dimethoxy-N-(naphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 20969022
1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine
CID 99844699
2-[4-(difluoromethoxy)phenyl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide
CID 37192727
1-benzyl-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide
CID 56754198
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 56812625
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119142830
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 61213958
1-(3-benzyl-4-methoxyphenyl)-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 112835925
2,4-dimethoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533824
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,6-dimethoxypyridine-3-carboxamide?
The IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,6-dimethoxypyridine-3-carboxamide (CID 42512706) is N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,6-dimethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,6-dimethoxypyridine-3-carboxamide?
The canonical SMILES for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,6-dimethoxypyridine-3-carboxamide is COc1ccc(C(=O)NCc2cccnc2-n2ccnc2)c(OC)n1.
What is the InChIKey of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,6-dimethoxypyridine-3-carboxamide?
The InChIKey is JKFUTUQXHJMQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-24-14-6-5-13(17(21-14)25-2)16(23)20-10-12-4-3-7-19-15(12)22-9-8-18-11-22/h3-9,11H,10H2,1-2H3,(H,20,23).
What are the key properties of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,6-dimethoxypyridine-3-carboxamide?
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,6-dimethoxypyridine-3-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,6-dimethoxypyridine-3-carboxamide is sourced from PubChem (CID 42512706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).