N-(cyclopentylmethyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide

C20H21N3O — CID 166901043

IUPACN-(cyclopentylmethyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide
SMILESO=C(NCC1CCCC1)c1ccc(-c2nccc3[nH]ccc23)cc1
InChIInChI=1S/C20H21N3O/c24-20(23-13-14-3-1-2-4-14)16-7-5-15(6-8-16)19-17-9-11-21-18(17)10-12-22-19/h5-12,14,21H,1-4,13H2,(H,23,24)
InChIKeyXDYPKOCDALNXLK-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.15
Rot. Bonds4

About N-(cyclopentylmethyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide

N-(cyclopentylmethyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide (PubChem CID 166901043) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide
PubChem CID166901043
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-(cyclopentylmethyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide
SMILESO=C(NCC1CCCC1)c1ccc(-c2nccc3[nH]ccc23)cc1
InChIInChI=1S/C20H21N3O/c24-20(23-13-14-3-1-2-4-14)16-7-5-15(6-8-16)19-17-9-11-21-18(17)10-12-22-19/h5-12,14,21H,1-4,13H2,(H,23,24)
InChIKeyXDYPKOCDALNXLK-UHFFFAOYSA-N
XLogP4.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylpropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide
CID 166901004
N-(3-methoxypropyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide
CID 169304012
N-(cyclobutylmethyl)-1H-indole-6-carboxamide
CID 47190926
N-(cyclohexylmethyl)-4-iodobenzamide
CID 42992498
N-(cyclopentylmethyl)-4-(1,2,4-oxadiazol-5-yl)benzamide
CID 167943425
N-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103762861
N-(cyclopentylmethyl)-4-sulfanylbenzamide
CID 107022611
N-(cyclohexylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 59811916
[4-(cyclohexylmethylcarbamoyl)phenyl]boronic acid
CID 71430774
N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide
CID 77088126
4-acetamido-N-(cyclohexylmethyl)benzamide
CID 2096141
N-(cyclohexylmethyl)-4-prop-2-enoxybenzamide
CID 55570164

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide?
The IUPAC name of N-(cyclopentylmethyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide (CID 166901043) is N-(cyclopentylmethyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide.
What is the SMILES notation for N-(cyclopentylmethyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide?
The canonical SMILES for N-(cyclopentylmethyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide is O=C(NCC1CCCC1)c1ccc(-c2nccc3[nH]ccc23)cc1.
What is the InChIKey of N-(cyclopentylmethyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide?
The InChIKey is XDYPKOCDALNXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c24-20(23-13-14-3-1-2-4-14)16-7-5-15(6-8-16)19-17-9-11-21-18(17)10-12-22-19/h5-12,14,21H,1-4,13H2,(H,23,24).
What are the key properties of N-(cyclopentylmethyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide?
N-(cyclopentylmethyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide has a molecular weight of 319.41 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-4-(1H-pyrrolo[3,2-c]pyridin-4-yl)benzamide is sourced from PubChem (CID 166901043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).