N-[6-(dimethylamino)-3-pyridinyl]-3-phenylmethoxybenzamide

C21H21N3O2 — CID 30271698

IUPACN-[6-(dimethylamino)-3-pyridinyl]-3-phenylmethoxybenzamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cn1
InChIInChI=1S/C21H21N3O2/c1-24(2)20-12-11-18(14-22-20)23-21(25)17-9-6-10-19(13-17)26-15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3,(H,23,25)
InChIKeyDVLYPBAWSQPJPN-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.98
Rot. Bonds6

About N-[6-(dimethylamino)-3-pyridinyl]-3-phenylmethoxybenzamide

N-[6-(dimethylamino)-3-pyridinyl]-3-phenylmethoxybenzamide (PubChem CID 30271698) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[6-(dimethylamino)-3-pyridinyl]-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)-3-pyridinyl]-3-phenylmethoxybenzamide
PubChem CID30271698
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[6-(dimethylamino)-3-pyridinyl]-3-phenylmethoxybenzamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cn1
InChIInChI=1S/C21H21N3O2/c1-24(2)20-12-11-18(14-22-20)23-21(25)17-9-6-10-19(13-17)26-15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3,(H,23,25)
InChIKeyDVLYPBAWSQPJPN-UHFFFAOYSA-N
XLogP3.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide
CID 23733067
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
N-(6-phenylmethoxy-3-pyridinyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55880084
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514
N-[6-(dimethylamino)-3-pyridinyl]-4-phenoxybenzamide
CID 30273384
3-phenylmethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 33498503
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-3-phenylmethoxybenzamide
CID 26522423
3-cyano-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 30272011
N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide
CID 55637639
[3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate
CID 2995401
N-[4-[(2R)-butan-2-yl]phenyl]-3-phenylmethoxybenzamide
CID 8778703

Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-3-phenylmethoxybenzamide?
The IUPAC name of N-[6-(dimethylamino)-3-pyridinyl]-3-phenylmethoxybenzamide (CID 30271698) is N-[6-(dimethylamino)-3-pyridinyl]-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[6-(dimethylamino)-3-pyridinyl]-3-phenylmethoxybenzamide?
The canonical SMILES for N-[6-(dimethylamino)-3-pyridinyl]-3-phenylmethoxybenzamide is CN(C)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cn1.
What is the InChIKey of N-[6-(dimethylamino)-3-pyridinyl]-3-phenylmethoxybenzamide?
The InChIKey is DVLYPBAWSQPJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-24(2)20-12-11-18(14-22-20)23-21(25)17-9-6-10-19(13-17)26-15-16-7-4-3-5-8-16/h3-14H,15H2,1-2H3,(H,23,25).
What are the key properties of N-[6-(dimethylamino)-3-pyridinyl]-3-phenylmethoxybenzamide?
N-[6-(dimethylamino)-3-pyridinyl]-3-phenylmethoxybenzamide has a molecular weight of 347.42 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)-3-pyridinyl]-3-phenylmethoxybenzamide is sourced from PubChem (CID 30271698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).