N-methyl-N-[(1S)-2-phenyl-1-[1-(3-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide

C30H31N5O2 — CID 42481400

IUPACN-methyl-N-[(1S)-2-phenyl-1-[1-(3-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide
SMILESCN(C(=O)c1ccccn1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2cccc(-n3cccn3)c2)CC1
InChIInChI=1S/C30H31N5O2/c1-33(30(37)27-13-5-6-16-31-27)28(21-23-9-3-2-4-10-23)24-14-19-34(20-15-24)29(36)25-11-7-12-26(22-25)35-18-8-17-32-35/h2-13,16-18,22,24,28H,14-15,19-21H2,1H3/t28-/m0/s1
InChIKeyQXPHPUHSRSMHQB-NDEPHWFRSA-N
MW493.61 g/mol
LogP4.50
Rot. Bonds7

About N-methyl-N-[(1S)-2-phenyl-1-[1-(3-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide

N-methyl-N-[(1S)-2-phenyl-1-[1-(3-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide (PubChem CID 42481400) has the molecular formula C30H31N5O2 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-methyl-N-[(1S)-2-phenyl-1-[1-(3-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1S)-2-phenyl-1-[1-(3-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide
PubChem CID42481400
Molecular FormulaC30H31N5O2
Molecular Weight493.61 g/mol
Exact Mass493.25
IUPAC NameN-methyl-N-[(1S)-2-phenyl-1-[1-(3-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide
SMILESCN(C(=O)c1ccccn1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2cccc(-n3cccn3)c2)CC1
InChIInChI=1S/C30H31N5O2/c1-33(30(37)27-13-5-6-16-31-27)28(21-23-9-3-2-4-10-23)24-14-19-34(20-15-24)29(36)25-11-7-12-26(22-25)35-18-8-17-32-35/h2-13,16-18,22,24,28H,14-15,19-21H2,1H3/t28-/m0/s1
InChIKeyQXPHPUHSRSMHQB-NDEPHWFRSA-N
XLogP4.50
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[(1S)-2-phenyl-1-[1-(3-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-methyl-N-[(1R)-1-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 42406587
2-(dimethylamino)-N-methyl-N-[(1S)-2-phenyl-1-[1-(4-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethyl]acetamide
CID 42419406
N-[1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
CID 45222028
N,1-dimethyl-N-[(1S)-2-phenyl-1-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]ethyl]pyrazole-3-carboxamide
CID 42482388
N-methyl-N-[1-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 126465588
N-[(1S)-1-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
CID 26354113
N-[(1R)-1-[1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
CID 26317828
N-methyl-N-[(1R)-1-[1-[2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 26345512
N-methyl-N-[1-[1-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 45210365
N-methyl-N-[2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 45250903
N-[(1R)-1-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
CID 42500962
N-methyl-N-[2-phenyl-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]-2-pyrazol-1-ylacetamide
CID 45186686

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S)-2-phenyl-1-[1-(3-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-N-[(1S)-2-phenyl-1-[1-(3-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide (CID 42481400) is N-methyl-N-[(1S)-2-phenyl-1-[1-(3-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(1S)-2-phenyl-1-[1-(3-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-N-[(1S)-2-phenyl-1-[1-(3-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide is CN(C(=O)c1ccccn1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2cccc(-n3cccn3)c2)CC1.
What is the InChIKey of N-methyl-N-[(1S)-2-phenyl-1-[1-(3-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide?
The InChIKey is QXPHPUHSRSMHQB-NDEPHWFRSA-N. The full InChI is InChI=1S/C30H31N5O2/c1-33(30(37)27-13-5-6-16-31-27)28(21-23-9-3-2-4-10-23)24-14-19-34(20-15-24)29(36)25-11-7-12-26(22-25)35-18-8-17-32-35/h2-13,16-18,22,24,28H,14-15,19-21H2,1H3/t28-/m0/s1.
What are the key properties of N-methyl-N-[(1S)-2-phenyl-1-[1-(3-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide?
N-methyl-N-[(1S)-2-phenyl-1-[1-(3-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 493.61 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S)-2-phenyl-1-[1-(3-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 42481400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).