4-[2-(6-amino-3-pyridinyl)-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide

C24H23ClN6O — CID 85469609

IUPAC4-[2-(6-amino-3-pyridinyl)-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(c2c(-c3ccc(N)nc3)n(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C24H23ClN6O/c25-17-2-4-18(5-3-17)31-20-14-28-10-7-19(20)22(15-8-11-30(12-9-15)24(27)32)23(31)16-1-6-21(26)29-13-16/h1-7,10,13-15H,8-9,11-12H2,(H2,26,29)(H2,27,32)
InChIKeyJMEGFTLLJFBFCF-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.58
Rot. Bonds3

About 4-[2-(6-amino-3-pyridinyl)-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide

4-[2-(6-amino-3-pyridinyl)-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide (PubChem CID 85469609) has the molecular formula C24H23ClN6O and a molecular weight of 446.94 g/mol. Its IUPAC name is 4-[2-(6-amino-3-pyridinyl)-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(6-amino-3-pyridinyl)-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
PubChem CID85469609
Molecular FormulaC24H23ClN6O
Molecular Weight446.94 g/mol
Exact Mass446.16
IUPAC Name4-[2-(6-amino-3-pyridinyl)-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(c2c(-c3ccc(N)nc3)n(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C24H23ClN6O/c25-17-2-4-18(5-3-17)31-20-14-28-10-7-19(20)22(15-8-11-30(12-9-15)24(27)32)23(31)16-1-6-21(26)29-13-16/h1-7,10,13-15H,8-9,11-12H2,(H2,26,29)(H2,27,32)
InChIKeyJMEGFTLLJFBFCF-UHFFFAOYSA-N
XLogP4.58
TPSA103.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-amino-3-pyridinyl)-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The IUPAC name of 4-[2-(6-amino-3-pyridinyl)-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide (CID 85469609) is 4-[2-(6-amino-3-pyridinyl)-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(6-amino-3-pyridinyl)-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(6-amino-3-pyridinyl)-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide is NC(=O)N1CCC(c2c(-c3ccc(N)nc3)n(-c3ccc(Cl)cc3)c3cnccc23)CC1.
What is the InChIKey of 4-[2-(6-amino-3-pyridinyl)-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The InChIKey is JMEGFTLLJFBFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O/c25-17-2-4-18(5-3-17)31-20-14-28-10-7-19(20)22(15-8-11-30(12-9-15)24(27)32)23(31)16-1-6-21(26)29-13-16/h1-7,10,13-15H,8-9,11-12H2,(H2,26,29)(H2,27,32).
What are the key properties of 4-[2-(6-amino-3-pyridinyl)-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
4-[2-(6-amino-3-pyridinyl)-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide has a molecular weight of 446.94 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-amino-3-pyridinyl)-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 85469609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).