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

C15H19N3O — CID 53014081

IUPACN-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ncccc12)NC1CCCCC1
InChIInChI=1S/C15H19N3O/c19-14(18-12-5-2-1-3-6-12)9-11-10-17-15-13(11)7-4-8-16-15/h4,7-8,10,12H,1-3,5-6,9H2,(H,16,17)(H,18,19)
InChIKeyLBOPEEXZFRQULP-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.55
Rot. Bonds3

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

N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 53014081) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID53014081
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ncccc12)NC1CCCCC1
InChIInChI=1S/C15H19N3O/c19-14(18-12-5-2-1-3-6-12)9-11-10-17-15-13(11)7-4-8-16-15/h4,7-8,10,12H,1-3,5-6,9H2,(H,16,17)(H,18,19)
InChIKeyLBOPEEXZFRQULP-UHFFFAOYSA-N
XLogP2.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpiperidin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 120602247
N-(3-methylpiperidin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 120554411
N-(piperidin-3-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 119462262
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 120947063
(2R)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid
CID 99713717
1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid
CID 102553989
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)cyclohexan-1-ol
CID 66414856
N-[2-(cyclopentylamino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112990882
N-[2-(cyclopropylamino)-6-fluorophenyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 75379833
N-[(2,5-difluorophenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144431
N-cyclopentyl-2-(7-methoxy-1H-indol-3-yl)acetamide
CID 110848702
4-ethyl-1-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120530192

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 53014081) is N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is O=C(Cc1c[nH]c2ncccc12)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is LBOPEEXZFRQULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-14(18-12-5-2-1-3-6-12)9-11-10-17-15-13(11)7-4-8-16-15/h4,7-8,10,12H,1-3,5-6,9H2,(H,16,17)(H,18,19).
What are the key properties of N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 257.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 53014081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).