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

C29H31F2N3O — CID 45205570

IUPACN-cyclopropyl-N-[1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
SMILESO=C(c1ccccn1)N(C1CC1)C(Cc1ccccc1)C1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C29H31F2N3O/c30-25-12-9-22(18-26(25)31)20-33-16-13-23(14-17-33)28(19-21-6-2-1-3-7-21)34(24-10-11-24)29(35)27-8-4-5-15-32-27/h1-9,12,15,18,23-24,28H,10-11,13-14,16-17,19-20H2
InChIKeyLLYQYPRIKJROMJ-UHFFFAOYSA-N
MW475.58 g/mol
LogP5.49
Rot. Bonds8

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

N-cyclopropyl-N-[1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide (PubChem CID 45205570) has the molecular formula C29H31F2N3O and a molecular weight of 475.58 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
PubChem CID45205570
Molecular FormulaC29H31F2N3O
Molecular Weight475.58 g/mol
Exact Mass475.24
IUPAC NameN-cyclopropyl-N-[1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
SMILESO=C(c1ccccn1)N(C1CC1)C(Cc1ccccc1)C1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C29H31F2N3O/c30-25-12-9-22(18-26(25)31)20-33-16-13-23(14-17-33)28(19-21-6-2-1-3-7-21)34(24-10-11-24)29(35)27-8-4-5-15-32-27/h1-9,12,15,18,23-24,28H,10-11,13-14,16-17,19-20H2
InChIKeyLLYQYPRIKJROMJ-UHFFFAOYSA-N
XLogP5.49
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.58
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-N-[1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide with MolForge

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Related Compounds

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-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 45212340
N-cyclopropyl-N-[1-[1-(3-hydroxybutyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 126466625
N-cyclopropyl-N-[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 45178137
N-cyclopropyl-N-[(1S)-2-phenyl-1-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 42424717
N-cyclopropyl-N-[(1R)-1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 26318281
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-[1-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 45249087
N-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 42318970
N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 42366662

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide (CID 45205570) is N-cyclopropyl-N-[1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide is O=C(c1ccccn1)N(C1CC1)C(Cc1ccccc1)C1CCN(Cc2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-cyclopropyl-N-[1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide?
The InChIKey is LLYQYPRIKJROMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F2N3O/c30-25-12-9-22(18-26(25)31)20-33-16-13-23(14-17-33)28(19-21-6-2-1-3-7-21)34(24-10-11-24)29(35)27-8-4-5-15-32-27/h1-9,12,15,18,23-24,28H,10-11,13-14,16-17,19-20H2.
What are the key properties of N-cyclopropyl-N-[1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide?
N-cyclopropyl-N-[1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide has a molecular weight of 475.58 g/mol, XLogP of 5.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide is sourced from PubChem (CID 45205570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).