N-[[(6R)-6-hydroxy-4-(3-phenyl-1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide

C22H23N5O4 — CID 124976970

IUPACN-[[(6R)-6-hydroxy-4-(3-phenyl-1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NC[C@]1(O)COCCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1)c1ccccn1
InChIInChI=1S/C22H23N5O4/c28-20(17-8-4-5-9-23-17)24-13-22(30)14-27(10-11-31-15-22)21(29)19-12-18(25-26-19)16-6-2-1-3-7-16/h1-9,12,30H,10-11,13-15H2,(H,24,28)(H,25,26)/t22-/m1/s1
InChIKeyLJEJXGBGJORNCY-JOCHJYFZSA-N
MW421.46 g/mol
LogP1.11
Rot. Bonds5

About N-[[(6R)-6-hydroxy-4-(3-phenyl-1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide

N-[[(6R)-6-hydroxy-4-(3-phenyl-1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide (PubChem CID 124976970) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[[(6R)-6-hydroxy-4-(3-phenyl-1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(6R)-6-hydroxy-4-(3-phenyl-1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
PubChem CID124976970
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC NameN-[[(6R)-6-hydroxy-4-(3-phenyl-1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NC[C@]1(O)COCCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1)c1ccccn1
InChIInChI=1S/C22H23N5O4/c28-20(17-8-4-5-9-23-17)24-13-22(30)14-27(10-11-31-15-22)21(29)19-12-18(25-26-19)16-6-2-1-3-7-16/h1-9,12,30H,10-11,13-15H2,(H,24,28)(H,25,26)/t22-/m1/s1
InChIKeyLJEJXGBGJORNCY-JOCHJYFZSA-N
XLogP1.11
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[(6R)-6-hydroxy-4-(3-phenyl-1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[(6R)-6-hydroxy-4-(3-phenyl-1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide
CID 124952698
N-[[(6R)-6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 124954161
N-[[4-(2H-benzotriazole-5-carbonyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 110123012
N-[[(6S)-6-hydroxy-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 125004694
N-[[4-(2-amino-6-methylpyrimidine-4-carbonyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 110122167
N-[[6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]-1,3-thiazole-4-carboxamide
CID 110118833
N-[[(6R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 125006523
N-[[6-hydroxy-4-(1H-indole-2-carbonyl)-1,4-oxazepan-6-yl]methyl]-1H-pyrazole-5-carboxamide
CID 110118809
N-[[6-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide
CID 155983777
N-[[(6S)-6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]acetamide
CID 125018899
pyridin-2-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087752
[6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-pyridin-2-ylmethanone
CID 132764545

Frequently Asked Questions

What is the IUPAC name of N-[[(6R)-6-hydroxy-4-(3-phenyl-1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[(6R)-6-hydroxy-4-(3-phenyl-1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide (CID 124976970) is N-[[(6R)-6-hydroxy-4-(3-phenyl-1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[(6R)-6-hydroxy-4-(3-phenyl-1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[(6R)-6-hydroxy-4-(3-phenyl-1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide is O=C(NC[C@]1(O)COCCN(C(=O)c2cc(-c3ccccc3)n[nH]2)C1)c1ccccn1.
What is the InChIKey of N-[[(6R)-6-hydroxy-4-(3-phenyl-1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
The InChIKey is LJEJXGBGJORNCY-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23N5O4/c28-20(17-8-4-5-9-23-17)24-13-22(30)14-27(10-11-31-15-22)21(29)19-12-18(25-26-19)16-6-2-1-3-7-16/h1-9,12,30H,10-11,13-15H2,(H,24,28)(H,25,26)/t22-/m1/s1.
What are the key properties of N-[[(6R)-6-hydroxy-4-(3-phenyl-1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
N-[[(6R)-6-hydroxy-4-(3-phenyl-1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6R)-6-hydroxy-4-(3-phenyl-1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 124976970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).