3-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide

C17H24N4O — CID 146641878

IUPAC3-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide
SMILESCCCCC1CCCN(C(=O)Nc2c[nH]c3ncccc23)C1
InChIInChI=1S/C17H24N4O/c1-2-3-6-13-7-5-10-21(12-13)17(22)20-15-11-19-16-14(15)8-4-9-18-16/h4,8-9,11,13H,2-3,5-7,10,12H2,1H3,(H,18,19)(H,20,22)
InChIKeyFJNMLAMYGASPHK-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.00
Rot. Bonds4

About 3-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide

3-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide (PubChem CID 146641878) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide
PubChem CID146641878
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name3-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide
SMILESCCCCC1CCCN(C(=O)Nc2c[nH]c3ncccc23)C1
InChIInChI=1S/C17H24N4O/c1-2-3-6-13-7-5-10-21(12-13)17(22)20-15-11-19-16-14(15)8-4-9-18-16/h4,8-9,11,13H,2-3,5-7,10,12H2,1H3,(H,18,19)(H,20,22)
InChIKeyFJNMLAMYGASPHK-UHFFFAOYSA-N
XLogP4.00
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide
CID 146641870
3-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]pyridine-2-carboxylic acid
CID 107228275
ethyl N-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate
CID 141399754
(3R)-3-[[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]-N-phenylpiperidine-1-carboxamide
CID 122518789
N-[(4-fluorophenyl)methyl]-2-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-3-yl]acetamide
CID 167955376
3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456
(3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide
CID 51944008
N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 71875026
(3R)-N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96504613
tert-butyl (3S)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxylate
CID 124566469
(3S)-N-(2-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 95326985
N-(2,5-dimethylphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide
CID 91904171

Frequently Asked Questions

What is the IUPAC name of 3-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide?
The IUPAC name of 3-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide (CID 146641878) is 3-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide is CCCCC1CCCN(C(=O)Nc2c[nH]c3ncccc23)C1.
What is the InChIKey of 3-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide?
The InChIKey is FJNMLAMYGASPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-2-3-6-13-7-5-10-21(12-13)17(22)20-15-11-19-16-14(15)8-4-9-18-16/h4,8-9,11,13H,2-3,5-7,10,12H2,1H3,(H,18,19)(H,20,22).
What are the key properties of 3-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide?
3-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 146641878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).