N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide

C28H31N3O2S — CID 42366662

IUPACN-cyclopropyl-N-[(1R)-2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide
SMILESO=C(Cc1ccsc1)N1CCC([C@@H](Cc2ccccc2)N(C(=O)c2ccccn2)C2CC2)CC1
InChIInChI=1S/C28H31N3O2S/c32-27(19-22-13-17-34-20-22)30-15-11-23(12-16-30)26(18-21-6-2-1-3-7-21)31(24-9-10-24)28(33)25-8-4-5-14-29-25/h1-8,13-14,17,20,23-24,26H,9-12,15-16,18-19H2/t26-/m1/s1
InChIKeyOVORYNNXPQJHGP-AREMUKBSSA-N
MW473.64 g/mol
LogP4.84
Rot. Bonds8

About N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide

N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide (PubChem CID 42366662) has the molecular formula C28H31N3O2S and a molecular weight of 473.64 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1R)-2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide
PubChem CID42366662
Molecular FormulaC28H31N3O2S
Molecular Weight473.64 g/mol
Exact Mass473.21
IUPAC NameN-cyclopropyl-N-[(1R)-2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide
SMILESO=C(Cc1ccsc1)N1CCC([C@@H](Cc2ccccc2)N(C(=O)c2ccccn2)C2CC2)CC1
InChIInChI=1S/C28H31N3O2S/c32-27(19-22-13-17-34-20-22)30-15-11-23(12-16-30)26(18-21-6-2-1-3-7-21)31(24-9-10-24)28(33)25-8-4-5-14-29-25/h1-8,13-14,17,20,23-24,26H,9-12,15-16,18-19H2/t26-/m1/s1
InChIKeyOVORYNNXPQJHGP-AREMUKBSSA-N
XLogP4.84
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-methyl-N-[2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 45250903
N-cyclopropyl-N-[1-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 45249087
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-[(1R)-1-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 26318281
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-[(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-methyl-N-[1-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 126465588
N-cyclopropyl-N-[1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 45205570
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-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 42236931

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide (CID 42366662) is N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide is O=C(Cc1ccsc1)N1CCC([C@@H](Cc2ccccc2)N(C(=O)c2ccccn2)C2CC2)CC1.
What is the InChIKey of N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide?
The InChIKey is OVORYNNXPQJHGP-AREMUKBSSA-N. The full InChI is InChI=1S/C28H31N3O2S/c32-27(19-22-13-17-34-20-22)30-15-11-23(12-16-30)26(18-21-6-2-1-3-7-21)31(24-9-10-24)28(33)25-8-4-5-14-29-25/h1-8,13-14,17,20,23-24,26H,9-12,15-16,18-19H2/t26-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide?
N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 473.64 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1R)-2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 42366662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).