N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]acetamide

C20H18N6O — CID 58345032

IUPACN-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1
InChIInChI=1S/C20H18N6O/c1-13(27)24-12-14-6-8-15(9-7-14)26-19(16-4-2-10-22-18(16)21)25-17-5-3-11-23-20(17)26/h2-11H,12H2,1H3,(H2,21,22)(H,24,27)
InChIKeyDMZYRKRBZQQLFK-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.70
Rot. Bonds4

About N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]acetamide

N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]acetamide (PubChem CID 58345032) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]acetamide
PubChem CID58345032
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC NameN-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1
InChIInChI=1S/C20H18N6O/c1-13(27)24-12-14-6-8-15(9-7-14)26-19(16-4-2-10-22-18(16)21)25-17-5-3-11-23-20(17)26/h2-11H,12H2,1H3,(H2,21,22)(H,24,27)
InChIKeyDMZYRKRBZQQLFK-UHFFFAOYSA-N
XLogP2.70
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]acetamide (CID 58345032) is N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1.
What is the InChIKey of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]acetamide?
The InChIKey is DMZYRKRBZQQLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-13(27)24-12-14-6-8-15(9-7-14)26-19(16-4-2-10-22-18(16)21)25-17-5-3-11-23-20(17)26/h2-11H,12H2,1H3,(H2,21,22)(H,24,27).
What are the key properties of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]acetamide?
N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]acetamide has a molecular weight of 358.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 58345032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).