N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide

C19H20N4O3 — CID 91764023

IUPACN-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1nc2ncccc2[nH]1
InChIInChI=1S/C19H20N4O3/c24-19(18-21-14-7-4-9-20-17(14)23-18)22-15-12-25-10-8-16(15)26-11-13-5-2-1-3-6-13/h1-7,9,15-16H,8,10-12H2,(H,22,24)(H,20,21,23)/t15-,16+/m1/s1
InChIKeyBUMMGKCVQSJXQC-CVEARBPZSA-N
MW352.39 g/mol
LogP2.06
Rot. Bonds5

About N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide

N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 91764023) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
PubChem CID91764023
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1nc2ncccc2[nH]1
InChIInChI=1S/C19H20N4O3/c24-19(18-21-14-7-4-9-20-17(14)23-18)22-15-12-25-10-8-16(15)26-11-13-5-2-1-3-6-13/h1-7,9,15-16H,8,10-12H2,(H,22,24)(H,20,21,23)/t15-,16+/m1/s1
InChIKeyBUMMGKCVQSJXQC-CVEARBPZSA-N
XLogP2.06
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide (CID 91764023) is N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide is O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1nc2ncccc2[nH]1.
What is the InChIKey of N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide?
The InChIKey is BUMMGKCVQSJXQC-CVEARBPZSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-19(18-21-14-7-4-9-20-17(14)23-18)22-15-12-25-10-8-16(15)26-11-13-5-2-1-3-6-13/h1-7,9,15-16H,8,10-12H2,(H,22,24)(H,20,21,23)/t15-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide?
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 91764023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).