3,4-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azete-2-carboxamide

C18H19N5O — CID 123890594

IUPAC3,4-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azete-2-carboxamide
SMILESCC1=C(C)C(C(=O)Nc2cnc3[nH]c(C4=CCNCC4)cc3c2)=N1
InChIInChI=1S/C18H19N5O/c1-10-11(2)21-16(10)18(24)22-14-7-13-8-15(23-17(13)20-9-14)12-3-5-19-6-4-12/h3,7-9,19H,4-6H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyAPCFEOHXIXSCNG-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.63
Rot. Bonds3

About 3,4-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azete-2-carboxamide

3,4-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azete-2-carboxamide (PubChem CID 123890594) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azete-2-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azete-2-carboxamide
PubChem CID123890594
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name3,4-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azete-2-carboxamide
SMILESCC1=C(C)C(C(=O)Nc2cnc3[nH]c(C4=CCNCC4)cc3c2)=N1
InChIInChI=1S/C18H19N5O/c1-10-11(2)21-16(10)18(24)22-14-7-13-8-15(23-17(13)20-9-14)12-3-5-19-6-4-12/h3,7-9,19H,4-6H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyAPCFEOHXIXSCNG-UHFFFAOYSA-N
XLogP2.63
TPSA82.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azete-2-carboxamide?
The IUPAC name of 3,4-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azete-2-carboxamide (CID 123890594) is 3,4-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azete-2-carboxamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azete-2-carboxamide?
The canonical SMILES for 3,4-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azete-2-carboxamide is CC1=C(C)C(C(=O)Nc2cnc3[nH]c(C4=CCNCC4)cc3c2)=N1.
What is the InChIKey of 3,4-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azete-2-carboxamide?
The InChIKey is APCFEOHXIXSCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-10-11(2)21-16(10)18(24)22-14-7-13-8-15(23-17(13)20-9-14)12-3-5-19-6-4-12/h3,7-9,19H,4-6H2,1-2H3,(H,20,23)(H,22,24).
What are the key properties of 3,4-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azete-2-carboxamide?
3,4-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azete-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]azete-2-carboxamide is sourced from PubChem (CID 123890594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).