N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C15H20N4O — CID 110475007

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCN1CCC(N(C)C(=O)c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C15H20N4O/c1-18-8-5-11(6-9-18)19(2)15(20)13-10-17-14-12(13)4-3-7-16-14/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyOCMWWRQXHZQXJW-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.73
Rot. Bonds2

About N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 110475007) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID110475007
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCN1CCC(N(C)C(=O)c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C15H20N4O/c1-18-8-5-11(6-9-18)19(2)15(20)13-10-17-14-12(13)4-3-7-16-14/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyOCMWWRQXHZQXJW-UHFFFAOYSA-N
XLogP1.73
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 161285453
2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 84576935
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 126923041
N-methyl-N-(1-methylpiperidin-4-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62165835
8-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-7-carboxamide
CID 53303052
N-cyclopentyl-N-(2-methoxyethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 75405120
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
(4-aminopiperidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 110474946
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11231449
N-methyl-N-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 154858407
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 75059242
2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110463573

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 110475007) is N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is CN1CCC(N(C)C(=O)c2c[nH]c3ncccc23)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is OCMWWRQXHZQXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18-8-5-11(6-9-18)19(2)15(20)13-10-17-14-12(13)4-3-7-16-14/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 110475007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).