N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide

C21H22N4O3 — CID 162669607

IUPACN-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCOC[C@@H]1O)c1cc(Cc2ccc(-n3cccn3)cc2)ccn1
InChIInChI=1S/C21H22N4O3/c26-20-14-28-11-7-18(20)24-21(27)19-13-16(6-9-22-19)12-15-2-4-17(5-3-15)25-10-1-8-23-25/h1-6,8-10,13,18,20,26H,7,11-12,14H2,(H,24,27)/t18-,20-/m0/s1
InChIKeyGEIWYSYEKRVIQX-ICSRJNTNSA-N
MW378.43 g/mol
LogP1.74
Rot. Bonds5

About N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide

N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 162669607) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
PubChem CID162669607
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCOC[C@@H]1O)c1cc(Cc2ccc(-n3cccn3)cc2)ccn1
InChIInChI=1S/C21H22N4O3/c26-20-14-28-11-7-18(20)24-21(27)19-13-16(6-9-22-19)12-15-2-4-17(5-3-15)25-10-1-8-23-25/h1-6,8-10,13,18,20,26H,7,11-12,14H2,(H,24,27)/t18-,20-/m0/s1
InChIKeyGEIWYSYEKRVIQX-ICSRJNTNSA-N
XLogP1.74
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide (CID 162669607) is N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide is O=C(N[C@H]1CCOC[C@@H]1O)c1cc(Cc2ccc(-n3cccn3)cc2)ccn1.
What is the InChIKey of N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is GEIWYSYEKRVIQX-ICSRJNTNSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-20-14-28-11-7-18(20)24-21(27)19-13-16(6-9-22-19)12-15-2-4-17(5-3-15)25-10-1-8-23-25/h1-6,8-10,13,18,20,26H,7,11-12,14H2,(H,24,27)/t18-,20-/m0/s1.
What are the key properties of N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 162669607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).