6-[(1R)-1-phenylethoxy]-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide

C20H22N4O2 — CID 51956127

IUPAC6-[(1R)-1-phenylethoxy]-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
SMILESC[C@@H](Oc1ccc(C(=O)NCCCn2cccn2)cn1)c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-16(17-7-3-2-4-8-17)26-19-10-9-18(15-22-19)20(25)21-11-5-13-24-14-6-12-23-24/h2-4,6-10,12,14-16H,5,11,13H2,1H3,(H,21,25)/t16-/m1/s1
InChIKeyWZHFKNRARPXDQW-MRXNPFEDSA-N
MW350.42 g/mol
LogP3.24
Rot. Bonds8

About 6-[(1R)-1-phenylethoxy]-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide

6-[(1R)-1-phenylethoxy]-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide (PubChem CID 51956127) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-[(1R)-1-phenylethoxy]-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1R)-1-phenylethoxy]-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
PubChem CID51956127
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name6-[(1R)-1-phenylethoxy]-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
SMILESC[C@@H](Oc1ccc(C(=O)NCCCn2cccn2)cn1)c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-16(17-7-3-2-4-8-17)26-19-10-9-18(15-22-19)20(25)21-11-5-13-24-14-6-12-23-24/h2-4,6-10,12,14-16H,5,11,13H2,1H3,(H,21,25)/t16-/m1/s1
InChIKeyWZHFKNRARPXDQW-MRXNPFEDSA-N
XLogP3.24
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-bromophenoxy)-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 55792268
6-[(1R)-1-phenylethoxy]-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 51964432
N-[2-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide
CID 95307862
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid
CID 119137026
N-(2-methyl-3-pyrazol-1-ylpropyl)-6-phenoxypyridine-3-carboxamide
CID 87018896
N-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide
CID 55912679
6-imidazol-1-yl-N-[3-(1-phenylethoxy)propyl]pyridine-3-carboxamide
CID 46541768
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
2-[4-(3-pyrazol-1-ylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504757
N-[(2S,3S)-3-methyl-1-oxo-1-(3-pyrazol-1-ylpropylamino)pentan-2-yl]benzamide
CID 37394224
6-[(1R)-1-phenylethoxy]-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-3-carboxamide
CID 51956656

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-phenylethoxy]-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(1R)-1-phenylethoxy]-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide (CID 51956127) is 6-[(1R)-1-phenylethoxy]-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(1R)-1-phenylethoxy]-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(1R)-1-phenylethoxy]-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide is C[C@@H](Oc1ccc(C(=O)NCCCn2cccn2)cn1)c1ccccc1.
What is the InChIKey of 6-[(1R)-1-phenylethoxy]-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide?
The InChIKey is WZHFKNRARPXDQW-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-16(17-7-3-2-4-8-17)26-19-10-9-18(15-22-19)20(25)21-11-5-13-24-14-6-12-23-24/h2-4,6-10,12,14-16H,5,11,13H2,1H3,(H,21,25)/t16-/m1/s1.
What are the key properties of 6-[(1R)-1-phenylethoxy]-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide?
6-[(1R)-1-phenylethoxy]-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-phenylethoxy]-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 51956127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).