N-benzhydryl-2,6-dimethoxypyridine-3-carboxamide

C21H20N2O3 — CID 10269225

IUPACN-benzhydryl-2,6-dimethoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)c(OC)n1
InChIInChI=1S/C21H20N2O3/c1-25-18-14-13-17(21(22-18)26-2)20(24)23-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,19H,1-2H3,(H,23,24)
InChIKeyAABKSKULBMBAOA-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.62
Rot. Bonds6

About N-benzhydryl-2,6-dimethoxypyridine-3-carboxamide

N-benzhydryl-2,6-dimethoxypyridine-3-carboxamide (PubChem CID 10269225) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-benzhydryl-2,6-dimethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-2,6-dimethoxypyridine-3-carboxamide
PubChem CID10269225
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-benzhydryl-2,6-dimethoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)c(OC)n1
InChIInChI=1S/C21H20N2O3/c1-25-18-14-13-17(21(22-18)26-2)20(24)23-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,19H,1-2H3,(H,23,24)
InChIKeyAABKSKULBMBAOA-UHFFFAOYSA-N
XLogP3.62
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)-phenylmethyl]-2,6-dimethylpyridine-3-carboxamide
CID 55875751
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 2949574
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 976350
2,5-dimethoxy-N-[(S)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 9118748
2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
CID 16559317
2,6-dimethoxy-N-(naphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 20969022
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 2190610
3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide
CID 46523092
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
N-[(4-methoxyphenyl)-phenylmethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 46483775
4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2,6-dimethoxypyridine-3-carboxamide?
The IUPAC name of N-benzhydryl-2,6-dimethoxypyridine-3-carboxamide (CID 10269225) is N-benzhydryl-2,6-dimethoxypyridine-3-carboxamide.
What is the SMILES notation for N-benzhydryl-2,6-dimethoxypyridine-3-carboxamide?
The canonical SMILES for N-benzhydryl-2,6-dimethoxypyridine-3-carboxamide is COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)c(OC)n1.
What is the InChIKey of N-benzhydryl-2,6-dimethoxypyridine-3-carboxamide?
The InChIKey is AABKSKULBMBAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-25-18-14-13-17(21(22-18)26-2)20(24)23-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,19H,1-2H3,(H,23,24).
What are the key properties of N-benzhydryl-2,6-dimethoxypyridine-3-carboxamide?
N-benzhydryl-2,6-dimethoxypyridine-3-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2,6-dimethoxypyridine-3-carboxamide is sourced from PubChem (CID 10269225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).