N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide

C18H16N6O — CID 175641659

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1cnc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C18H16N6O/c25-18(20-7-6-14-10-19-11-22-14)13-8-16-17(21-9-13)24(12-23-16)15-4-2-1-3-5-15/h1-5,8-12H,6-7H2,(H,19,22)(H,20,25)
InChIKeyAPARHMNXYKQLBX-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.12
Rot. Bonds5

About N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 175641659) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID175641659
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1cnc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C18H16N6O/c25-18(20-7-6-14-10-19-11-22-14)13-8-16-17(21-9-13)24(12-23-16)15-4-2-1-3-5-15/h1-5,8-12H,6-7H2,(H,19,22)(H,20,25)
InChIKeyAPARHMNXYKQLBX-UHFFFAOYSA-N
XLogP2.12
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide (CID 175641659) is N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide is O=C(NCCc1cnc[nH]1)c1cnc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is APARHMNXYKQLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c25-18(20-7-6-14-10-19-11-22-14)13-8-16-17(21-9-13)24(12-23-16)15-4-2-1-3-5-15/h1-5,8-12H,6-7H2,(H,19,22)(H,20,25).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 175641659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).