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

C15H20N4O — CID 120554411

IUPACN-(3-methylpiperidin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCC1CNCCC1NC(=O)Cc1c[nH]c2ncccc12
InChIInChI=1S/C15H20N4O/c1-10-8-16-6-4-13(10)19-14(20)7-11-9-18-15-12(11)3-2-5-17-15/h2-3,5,9-10,13,16H,4,6-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyDKGKDILTBWBPBG-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.22
Rot. Bonds3

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

N-(3-methylpiperidin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 120554411) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID120554411
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(3-methylpiperidin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCC1CNCCC1NC(=O)Cc1c[nH]c2ncccc12
InChIInChI=1S/C15H20N4O/c1-10-8-16-6-4-13(10)19-14(20)7-11-9-18-15-12(11)3-2-5-17-15/h2-3,5,9-10,13,16H,4,6-8H2,1H3,(H,17,18)(H,19,20)
InChIKeyDKGKDILTBWBPBG-UHFFFAOYSA-N
XLogP1.22
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpiperidin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 120602247
N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53014081
N-(piperidin-3-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 119462262
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
2-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120557156
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 120947063
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279
2-(3-iodophenyl)-N-(3-methylpiperidin-4-yl)acetamide
CID 120553920
2-(3-methoxyphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556859
2-(2-ethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120557733
N-[(1R,5S)-1-(hydroxymethyl)-3,3,5-trimethylcyclohexyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 99777629
N-(3-methylpiperidin-4-yl)pyrazine-2-carboxamide
CID 120556268

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 120554411) is N-(3-methylpiperidin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is CC1CNCCC1NC(=O)Cc1c[nH]c2ncccc12.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is DKGKDILTBWBPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-8-16-6-4-13(10)19-14(20)7-11-9-18-15-12(11)3-2-5-17-15/h2-3,5,9-10,13,16H,4,6-8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-(3-methylpiperidin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-(3-methylpiperidin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 120554411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).