N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide

C15H20N4O — CID 10445946

IUPACN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide
SMILESCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
InChIInChI=1S/C15H20N4O/c1-10(20)17-14-4-3-13-15(18-14)12(9-16-13)11-5-7-19(2)8-6-11/h3-4,9,11,16H,5-8H2,1-2H3,(H,17,18,20)
InChIKeyVCYDEUCPMLCHGS-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.33
Rot. Bonds2

About N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide

N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide (PubChem CID 10445946) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide
PubChem CID10445946
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide
SMILESCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1
InChIInChI=1S/C15H20N4O/c1-10(20)17-14-4-3-13-15(18-14)12(9-16-13)11-5-7-19(2)8-6-11/h3-4,9,11,16H,5-8H2,1-2H3,(H,17,18,20)
InChIKeyVCYDEUCPMLCHGS-UHFFFAOYSA-N
XLogP2.33
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrrolo(3,2-c)pyridine-1-acetamide, 4-(2-methyl-4-pyridinyl)-N-(5-(2-pyrazinyl)-2-pyridinyl)-
CID 121280694
(2S)-1-({4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}amino)propan-2-ol
CID 9863786
3-[(3r)-3-(Imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-Yl)piperidin-1-Yl]-3-Oxopropanenitrile
CID 53341457
2-Methyl-3-{[4-(Pyridin-2-Yl)piperazin-1-Yl]methyl}-1h-Indole
CID 2813100
3-ethyl-1-[5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365956
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-5,11-dihydro-5-methyl-2-(1H-pyrrolo(2,3-c)pyridin-3-yl)-
CID 466848
(2R)-1-({4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}amino)propan-2-ol
CID 10937337
ethyl N-(9H-pyrido[3,4-b]indol-3-yl)carbamate
CID 355090
Dipyridodiazepinone deriv. 42
CID 463562
Acetamido deriv. 12
CID 6539894
Acetamido deriv. 13
CID 6539895

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide?
The IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide (CID 10445946) is N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide?
The canonical SMILES for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide is CC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1.
What is the InChIKey of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide?
The InChIKey is VCYDEUCPMLCHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(20)17-14-4-3-13-15(18-14)12(9-16-13)11-5-7-19(2)8-6-11/h3-4,9,11,16H,5-8H2,1-2H3,(H,17,18,20).
What are the key properties of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide?
N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]acetamide is sourced from PubChem (CID 10445946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).