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

C12H14N4O2 — CID 63930568

IUPACN-(1H-imidazol-2-ylmethyl)-6-methoxy-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N(C)Cc2ncc[nH]2)cn1
InChIInChI=1S/C12H14N4O2/c1-16(8-10-13-5-6-14-10)12(17)9-3-4-11(18-2)15-7-9/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyPVPQMRZGOMVSFU-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.09
Rot. Bonds4

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

N-(1H-imidazol-2-ylmethyl)-6-methoxy-N-methylpyridine-3-carboxamide (PubChem CID 63930568) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-6-methoxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-6-methoxy-N-methylpyridine-3-carboxamide
PubChem CID63930568
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(1H-imidazol-2-ylmethyl)-6-methoxy-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N(C)Cc2ncc[nH]2)cn1
InChIInChI=1S/C12H14N4O2/c1-16(8-10-13-5-6-14-10)12(17)9-3-4-11(18-2)15-7-9/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyPVPQMRZGOMVSFU-UHFFFAOYSA-N
XLogP1.09
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 64519117
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
N-(1H-imidazol-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
CID 63929739
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 50954561
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide
CID 56740870
N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methyl-4-nitrobenzamide
CID 115621030
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 63940992
N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methylthiophene-2-carboxamide
CID 78954717
3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide
CID 103736159
3-chloro-N-(1H-imidazol-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 63928489
N-(2-hydroxy-2-methylpropyl)-6-methoxy-N-methylpyridine-3-carboxamide
CID 79291508
3-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64516965

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-6-methoxy-N-methylpyridine-3-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-6-methoxy-N-methylpyridine-3-carboxamide (CID 63930568) is N-(1H-imidazol-2-ylmethyl)-6-methoxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-6-methoxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-6-methoxy-N-methylpyridine-3-carboxamide is COc1ccc(C(=O)N(C)Cc2ncc[nH]2)cn1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-6-methoxy-N-methylpyridine-3-carboxamide?
The InChIKey is PVPQMRZGOMVSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-16(8-10-13-5-6-14-10)12(17)9-3-4-11(18-2)15-7-9/h3-7H,8H2,1-2H3,(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-6-methoxy-N-methylpyridine-3-carboxamide?
N-(1H-imidazol-2-ylmethyl)-6-methoxy-N-methylpyridine-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-6-methoxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 63930568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).