N-[[3-(cyclopentylcarbamoyl)phenyl]methyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;methanol

C30H38N4O4 — CID 142337839

IUPACN-[[3-(cyclopentylcarbamoyl)phenyl]methyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;methanol
SMILESCN(C)CCOc1cc(-c2ccncc2)ccc1C(=O)NCc1cccc(C(=O)NC2CCCC2)c1.CO
InChIInChI=1S/C29H34N4O3.CH4O/c1-33(2)16-17-36-27-19-23(22-12-14-30-15-13-22)10-11-26(27)29(35)31-20-21-6-5-7-24(18-21)28(34)32-25-8-3-4-9-25;1-2/h5-7,10-15,18-19,25H,3-4,8-9,16-17,20H2,1-2H3,(H,31,35)(H,32,34);2H,1H3
InChIKeyKISOWIQTYYRGLX-UHFFFAOYSA-N
MW518.66 g/mol
LogP3.90
Rot. Bonds10

About N-[[3-(cyclopentylcarbamoyl)phenyl]methyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;methanol

N-[[3-(cyclopentylcarbamoyl)phenyl]methyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;methanol (PubChem CID 142337839) has the molecular formula C30H38N4O4 and a molecular weight of 518.66 g/mol. Its IUPAC name is N-[[3-(cyclopentylcarbamoyl)phenyl]methyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;methanol.

Molecular Properties

Compound NameN-[[3-(cyclopentylcarbamoyl)phenyl]methyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;methanol
PubChem CID142337839
Molecular FormulaC30H38N4O4
Molecular Weight518.66 g/mol
Exact Mass518.29
IUPAC NameN-[[3-(cyclopentylcarbamoyl)phenyl]methyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;methanol
SMILESCN(C)CCOc1cc(-c2ccncc2)ccc1C(=O)NCc1cccc(C(=O)NC2CCCC2)c1.CO
InChIInChI=1S/C29H34N4O3.CH4O/c1-33(2)16-17-36-27-19-23(22-12-14-30-15-13-22)10-11-26(27)29(35)31-20-21-6-5-7-24(18-21)28(34)32-25-8-3-4-9-25;1-2/h5-7,10-15,18-19,25H,3-4,8-9,16-17,20H2,1-2H3,(H,31,35)(H,32,34);2H,1H3
InChIKeyKISOWIQTYYRGLX-UHFFFAOYSA-N
XLogP3.90
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.66
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 118414536
(3R,4R)-N-{4-[4-(2-Fluoro-6-hydroxy-3-methoxy-benzoyl)-benzyloxy]-azepan-3-YL}-isonicotinamide
CID 657016
(S)-7-methoxy-1-((5-oxopyrrolidin-2-yl)methoxy)isoquinoline-6-carboxamide
CID 118414336
(S)-7-ethoxy-1-((5-oxopyrrolidin-2-yl)methoxy)isoquinoline-6-carboxamide
CID 118414397
(S)-7-isopropoxy-1-((5-oxopyrrolidin-2-yl)methoxy)isoquinoline-6-carboxamide
CID 118414671
N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
CID 121363591
3-{2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]-amino}carbonyl)-4-[(pyridin-3-yloxy)methyl]phenyl}propanoicacid
CID 9982348
3-(2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]-amino}carbonyl)-4-{[(6-methylpyridin-3-yl)oxy]methyl}-phenyl)propanoic acid
CID 10051189
3-(2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]-amino}carbonyl)-4-{[(2-methylpyridin-3-yl)oxy]methyl}-phenyl)propanoic acid
CID 10480657
(R)-3-(cyclohexyloxy)-4''-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)biphenyl-4-carboxylic acid
CID 24893964
2-cyclohexyloxy-4-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-N-methylsulfonylbenzamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopentylcarbamoyl)phenyl]methyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;methanol?
The IUPAC name of N-[[3-(cyclopentylcarbamoyl)phenyl]methyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;methanol (CID 142337839) is N-[[3-(cyclopentylcarbamoyl)phenyl]methyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;methanol.
What is the SMILES notation for N-[[3-(cyclopentylcarbamoyl)phenyl]methyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;methanol?
The canonical SMILES for N-[[3-(cyclopentylcarbamoyl)phenyl]methyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;methanol is CN(C)CCOc1cc(-c2ccncc2)ccc1C(=O)NCc1cccc(C(=O)NC2CCCC2)c1.CO.
What is the InChIKey of N-[[3-(cyclopentylcarbamoyl)phenyl]methyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;methanol?
The InChIKey is KISOWIQTYYRGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3.CH4O/c1-33(2)16-17-36-27-19-23(22-12-14-30-15-13-22)10-11-26(27)29(35)31-20-21-6-5-7-24(18-21)28(34)32-25-8-3-4-9-25;1-2/h5-7,10-15,18-19,25H,3-4,8-9,16-17,20H2,1-2H3,(H,31,35)(H,32,34);2H,1H3.
What are the key properties of N-[[3-(cyclopentylcarbamoyl)phenyl]methyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;methanol?
N-[[3-(cyclopentylcarbamoyl)phenyl]methyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;methanol has a molecular weight of 518.66 g/mol, XLogP of 3.90, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopentylcarbamoyl)phenyl]methyl]-2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylbenzamide;methanol is sourced from PubChem (CID 142337839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).