N-cyclopropyl-N-[(1R)-1-[1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide

C30H35N3O3 — CID 42236931

IUPACN-cyclopropyl-N-[(1R)-1-[1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
SMILESCOc1cccc(O)c1CN1CCC([C@@H](Cc2ccccc2)N(C(=O)c2ccccn2)C2CC2)CC1
InChIInChI=1S/C30H35N3O3/c1-36-29-12-7-11-28(34)25(29)21-32-18-15-23(16-19-32)27(20-22-8-3-2-4-9-22)33(24-13-14-24)30(35)26-10-5-6-17-31-26/h2-12,17,23-24,27,34H,13-16,18-21H2,1H3/t27-/m1/s1
InChIKeyJEOIYSOVTMVVSM-HHHXNRCGSA-N
MW485.63 g/mol
LogP4.92
Rot. Bonds9

About N-cyclopropyl-N-[(1R)-1-[1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide

N-cyclopropyl-N-[(1R)-1-[1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide (PubChem CID 42236931) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1R)-1-[1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1R)-1-[1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
PubChem CID42236931
Molecular FormulaC30H35N3O3
Molecular Weight485.63 g/mol
Exact Mass485.27
IUPAC NameN-cyclopropyl-N-[(1R)-1-[1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
SMILESCOc1cccc(O)c1CN1CCC([C@@H](Cc2ccccc2)N(C(=O)c2ccccn2)C2CC2)CC1
InChIInChI=1S/C30H35N3O3/c1-36-29-12-7-11-28(34)25(29)21-32-18-15-23(16-19-32)27(20-22-8-3-2-4-9-22)33(24-13-14-24)30(35)26-10-5-6-17-31-26/h2-12,17,23-24,27,34H,13-16,18-21H2,1H3/t27-/m1/s1
InChIKeyJEOIYSOVTMVVSM-HHHXNRCGSA-N
XLogP4.92
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

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-[(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-(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-[1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 45205570
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-[(1R)-1-[1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
CID 26317828

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1R)-1-[1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(1R)-1-[1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide (CID 42236931) is N-cyclopropyl-N-[(1R)-1-[1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(1R)-1-[1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(1R)-1-[1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide is COc1cccc(O)c1CN1CCC([C@@H](Cc2ccccc2)N(C(=O)c2ccccn2)C2CC2)CC1.
What is the InChIKey of N-cyclopropyl-N-[(1R)-1-[1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide?
The InChIKey is JEOIYSOVTMVVSM-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H35N3O3/c1-36-29-12-7-11-28(34)25(29)21-32-18-15-23(16-19-32)27(20-22-8-3-2-4-9-22)33(24-13-14-24)30(35)26-10-5-6-17-31-26/h2-12,17,23-24,27,34H,13-16,18-21H2,1H3/t27-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(1R)-1-[1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide?
N-cyclopropyl-N-[(1R)-1-[1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide has a molecular weight of 485.63 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1R)-1-[1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide is sourced from PubChem (CID 42236931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).