N-cyclopropyl-N-[1-[1-(3-hydroxybutyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide

C26H35N3O2 — CID 126466625

IUPACN-cyclopropyl-N-[1-[1-(3-hydroxybutyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
SMILESCC(O)CCN1CCC(C(Cc2ccccc2)N(C(=O)c2ccccn2)C2CC2)CC1
InChIInChI=1S/C26H35N3O2/c1-20(30)12-16-28-17-13-22(14-18-28)25(19-21-7-3-2-4-8-21)29(23-10-11-23)26(31)24-9-5-6-15-27-24/h2-9,15,20,22-23,25,30H,10-14,16-19H2,1H3
InChIKeyORGDNJZSXVOEPJ-UHFFFAOYSA-N
MW421.58 g/mol
LogP3.78
Rot. Bonds9

About N-cyclopropyl-N-[1-[1-(3-hydroxybutyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide

N-cyclopropyl-N-[1-[1-(3-hydroxybutyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide (PubChem CID 126466625) has the molecular formula C26H35N3O2 and a molecular weight of 421.58 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[1-(3-hydroxybutyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[1-(3-hydroxybutyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
PubChem CID126466625
Molecular FormulaC26H35N3O2
Molecular Weight421.58 g/mol
Exact Mass421.27
IUPAC NameN-cyclopropyl-N-[1-[1-(3-hydroxybutyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
SMILESCC(O)CCN1CCC(C(Cc2ccccc2)N(C(=O)c2ccccn2)C2CC2)CC1
InChIInChI=1S/C26H35N3O2/c1-20(30)12-16-28-17-13-22(14-18-28)25(19-21-7-3-2-4-8-21)29(23-10-11-23)26(31)24-9-5-6-15-27-24/h2-9,15,20,22-23,25,30H,10-14,16-19H2,1H3
InChIKeyORGDNJZSXVOEPJ-UHFFFAOYSA-N
XLogP3.78
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.58
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(1S)-2-phenyl-1-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 42424717
N-cyclopropyl-N-[1-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 45212340
N-cyclopropyl-N-[(1R)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 26278508
N-cyclopropyl-N-[(1S)-1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 26278510
N-cyclopropyl-N-[1-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 45249087
N-cyclopropyl-N-[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 45178137
N-cyclopropyl-N-[(1R)-1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 26318281
N-cyclopropyl-N-[1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 45205570
N-cyclopropyl-N-[(1R)-1-[1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 42236931
N-cyclopropyl-N-[(1R)-1-[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 42368696
N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 42366662
N-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 42318970

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[1-(3-hydroxybutyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[1-[1-(3-hydroxybutyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide (CID 126466625) is N-cyclopropyl-N-[1-[1-(3-hydroxybutyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[1-[1-(3-hydroxybutyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[1-[1-(3-hydroxybutyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide is CC(O)CCN1CCC(C(Cc2ccccc2)N(C(=O)c2ccccn2)C2CC2)CC1.
What is the InChIKey of N-cyclopropyl-N-[1-[1-(3-hydroxybutyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide?
The InChIKey is ORGDNJZSXVOEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-20(30)12-16-28-17-13-22(14-18-28)25(19-21-7-3-2-4-8-21)29(23-10-11-23)26(31)24-9-5-6-15-27-24/h2-9,15,20,22-23,25,30H,10-14,16-19H2,1H3.
What are the key properties of N-cyclopropyl-N-[1-[1-(3-hydroxybutyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide?
N-cyclopropyl-N-[1-[1-(3-hydroxybutyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide has a molecular weight of 421.58 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[1-(3-hydroxybutyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide is sourced from PubChem (CID 126466625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).