N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]bicyclo[3.1.0]hexane-6-carboxamide

C20H20N4O — CID 169097630

IUPACN-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1cc(-c2cc3cnc(NC(=O)C4C5CCCC54)cc3[nH]2)ccn1
InChIInChI=1S/C20H20N4O/c1-11-7-12(5-6-21-11)16-8-13-10-22-18(9-17(13)23-16)24-20(25)19-14-3-2-4-15(14)19/h5-10,14-15,19,23H,2-4H2,1H3,(H,22,24,25)
InChIKeyLWRZTEMHXPONKC-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.92
Rot. Bonds3

About N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]bicyclo[3.1.0]hexane-6-carboxamide

N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 169097630) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID169097630
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1cc(-c2cc3cnc(NC(=O)C4C5CCCC54)cc3[nH]2)ccn1
InChIInChI=1S/C20H20N4O/c1-11-7-12(5-6-21-11)16-8-13-10-22-18(9-17(13)23-16)24-20(25)19-14-3-2-4-15(14)19/h5-10,14-15,19,23H,2-4H2,1H3,(H,22,24,25)
InChIKeyLWRZTEMHXPONKC-UHFFFAOYSA-N
XLogP3.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]bicyclo[3.1.0]hexane-6-carboxamide (CID 169097630) is N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]bicyclo[3.1.0]hexane-6-carboxamide is Cc1cc(-c2cc3cnc(NC(=O)C4C5CCCC54)cc3[nH]2)ccn1.
What is the InChIKey of N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is LWRZTEMHXPONKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-11-7-12(5-6-21-11)16-8-13-10-22-18(9-17(13)23-16)24-20(25)19-14-3-2-4-15(14)19/h5-10,14-15,19,23H,2-4H2,1H3,(H,22,24,25).
What are the key properties of N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]bicyclo[3.1.0]hexane-6-carboxamide?
N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 169097630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).