N-(2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)cyclopentanecarboxamide

C18H18N4O — CID 164564726

IUPACN-(2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)cyclopentanecarboxamide
SMILESO=C(Nc1cc2[nH]c(-c3cccnc3)cc2cn1)C1CCCC1
InChIInChI=1S/C18H18N4O/c23-18(12-4-1-2-5-12)22-17-9-16-14(11-20-17)8-15(21-16)13-6-3-7-19-10-13/h3,6-12,21H,1-2,4-5H2,(H,20,22,23)
InChIKeyKIVZFFCYUQJKDM-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.75
Rot. Bonds3

About N-(2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)cyclopentanecarboxamide

N-(2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)cyclopentanecarboxamide (PubChem CID 164564726) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)cyclopentanecarboxamide
PubChem CID164564726
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-(2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)cyclopentanecarboxamide
SMILESO=C(Nc1cc2[nH]c(-c3cccnc3)cc2cn1)C1CCCC1
InChIInChI=1S/C18H18N4O/c23-18(12-4-1-2-5-12)22-17-9-16-14(11-20-17)8-15(21-16)13-6-3-7-19-10-13/h3,6-12,21H,1-2,4-5H2,(H,20,22,23)
InChIKeyKIVZFFCYUQJKDM-UHFFFAOYSA-N
XLogP3.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)cyclopentanecarboxamide?
The IUPAC name of N-(2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)cyclopentanecarboxamide (CID 164564726) is N-(2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)cyclopentanecarboxamide is O=C(Nc1cc2[nH]c(-c3cccnc3)cc2cn1)C1CCCC1.
What is the InChIKey of N-(2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)cyclopentanecarboxamide?
The InChIKey is KIVZFFCYUQJKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-18(12-4-1-2-5-12)22-17-9-16-14(11-20-17)8-15(21-16)13-6-3-7-19-10-13/h3,6-12,21H,1-2,4-5H2,(H,20,22,23).
What are the key properties of N-(2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)cyclopentanecarboxamide?
N-(2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)cyclopentanecarboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-6-yl)cyclopentanecarboxamide is sourced from PubChem (CID 164564726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).