N-ethyl-4-(1-methylpyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide

C16H22N4O — CID 165433196

IUPACN-ethyl-4-(1-methylpyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(c2cc3cccnc3n2C)CC1
InChIInChI=1S/C16H22N4O/c1-3-17-16(21)20-9-6-12(7-10-20)14-11-13-5-4-8-18-15(13)19(14)2/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H,17,21)
InChIKeyPYAOAJLTEJZHLD-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.48
Rot. Bonds2

About N-ethyl-4-(1-methylpyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide

N-ethyl-4-(1-methylpyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide (PubChem CID 165433196) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-ethyl-4-(1-methylpyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(1-methylpyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide
PubChem CID165433196
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-ethyl-4-(1-methylpyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(c2cc3cccnc3n2C)CC1
InChIInChI=1S/C16H22N4O/c1-3-17-16(21)20-9-6-12(7-10-20)14-11-13-5-4-8-18-15(13)19(14)2/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H,17,21)
InChIKeyPYAOAJLTEJZHLD-UHFFFAOYSA-N
XLogP2.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1-methylpyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-(1-methylpyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide (CID 165433196) is N-ethyl-4-(1-methylpyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(1-methylpyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-(1-methylpyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide is CCNC(=O)N1CCC(c2cc3cccnc3n2C)CC1.
What is the InChIKey of N-ethyl-4-(1-methylpyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide?
The InChIKey is PYAOAJLTEJZHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-17-16(21)20-9-6-12(7-10-20)14-11-13-5-4-8-18-15(13)19(14)2/h4-5,8,11-12H,3,6-7,9-10H2,1-2H3,(H,17,21).
What are the key properties of N-ethyl-4-(1-methylpyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide?
N-ethyl-4-(1-methylpyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1-methylpyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 165433196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).