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

C17H24N4O — CID 146641870

IUPAC4-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide
SMILESCCCCC1CCN(C(=O)Nc2c[nH]c3ncccc23)CC1
InChIInChI=1S/C17H24N4O/c1-2-3-5-13-7-10-21(11-8-13)17(22)20-15-12-19-16-14(15)6-4-9-18-16/h4,6,9,12-13H,2-3,5,7-8,10-11H2,1H3,(H,18,19)(H,20,22)
InChIKeyLENIQRYRYJKOAC-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.00
Rot. Bonds4

About 4-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide

4-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide (PubChem CID 146641870) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide
PubChem CID146641870
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide
SMILESCCCCC1CCN(C(=O)Nc2c[nH]c3ncccc23)CC1
InChIInChI=1S/C17H24N4O/c1-2-3-5-13-7-10-21(11-8-13)17(22)20-15-12-19-16-14(15)6-4-9-18-16/h4,6,9,12-13H,2-3,5,7-8,10-11H2,1H3,(H,18,19)(H,20,22)
InChIKeyLENIQRYRYJKOAC-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

3-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide
CID 146641878
4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide
CID 23381452
ethyl N-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate
CID 141399754
2-[1-[(2-methyl-3-pyridinyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79606453
(4-aminopiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 110474946
1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]hexan-1-one
CID 51123164
N-(5-chloroquinolin-8-yl)-4-methylpiperidine-1-carboxamide
CID 115581912
4-butyl-N-naphthalen-2-ylazepane-1-carboxamide
CID 23381450
N-ethyl-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 141065993
4-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 47041032
4-[4-(hydroxyamino)-4-oxobutyl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 11849007
N-(2-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
CID 53151039

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide (CID 146641870) is 4-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide is CCCCC1CCN(C(=O)Nc2c[nH]c3ncccc23)CC1.
What is the InChIKey of 4-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide?
The InChIKey is LENIQRYRYJKOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-2-3-5-13-7-10-21(11-8-13)17(22)20-15-12-19-16-14(15)6-4-9-18-16/h4,6,9,12-13H,2-3,5,7-8,10-11H2,1H3,(H,18,19)(H,20,22).
What are the key properties of 4-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide?
4-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 4-butyl-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 146641870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).