N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide

C23H24N2O3 — CID 92500223

IUPACN-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](c2cccnc2)c2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C23H24N2O3/c1-15-7-8-17(12-16(15)2)22(19-6-5-11-24-14-19)25-23(26)18-9-10-20(27-3)21(13-18)28-4/h5-14,22H,1-4H3,(H,25,26)/t22-/m0/s1
InChIKeyKUOBISCRXOIYLM-QFIPXVFZSA-N
MW376.46 g/mol
LogP4.24
Rot. Bonds6

About N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide

N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide (PubChem CID 92500223) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
PubChem CID92500223
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H](c2cccnc2)c2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C23H24N2O3/c1-15-7-8-17(12-16(15)2)22(19-6-5-11-24-14-19)25-23(26)18-9-10-20(27-3)21(13-18)28-4/h5-14,22H,1-4H3,(H,25,26)/t22-/m0/s1
InChIKeyKUOBISCRXOIYLM-QFIPXVFZSA-N
XLogP4.24
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide
CID 92500269
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide
CID 20897042
3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 18163096
N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 43010004
3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide
CID 92500137
N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide
CID 92500236
3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500173
N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-fluorobenzamide
CID 92500240
4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
3-methoxy-4-methyl-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 18208620
N-[(R)-(2,5-dimethylphenyl)-pyridin-3-ylmethyl]-4-methoxybenzamide
CID 92500266
N-[(S)-(3,4-dimethylphenyl)-phenylmethyl]pyridine-4-carboxamide
CID 26177693

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide (CID 92500223) is N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N[C@H](c2cccnc2)c2ccc(C)c(C)c2)cc1OC.
What is the InChIKey of N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide?
The InChIKey is KUOBISCRXOIYLM-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-15-7-8-17(12-16(15)2)22(19-6-5-11-24-14-19)25-23(26)18-9-10-20(27-3)21(13-18)28-4/h5-14,22H,1-4H3,(H,25,26)/t22-/m0/s1.
What are the key properties of N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide?
N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide has a molecular weight of 376.46 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 92500223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).