N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

C20H30N2O2 — CID 109478271

IUPACN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESO=C(NCC(CO)Cc1ccccn1)C1CCC2CCCCC2C1
InChIInChI=1S/C20H30N2O2/c23-14-15(11-19-7-3-4-10-21-19)13-22-20(24)18-9-8-16-5-1-2-6-17(16)12-18/h3-4,7,10,15-18,23H,1-2,5-6,8-9,11-14H2,(H,22,24)
InChIKeyQPZFILYNTPPCLB-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.96
Rot. Bonds6

About N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (PubChem CID 109478271) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
PubChem CID109478271
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESO=C(NCC(CO)Cc1ccccn1)C1CCC2CCCCC2C1
InChIInChI=1S/C20H30N2O2/c23-14-15(11-19-7-3-4-10-21-19)13-22-20(24)18-9-8-16-5-1-2-6-17(16)12-18/h3-4,7,10,15-18,23H,1-2,5-6,8-9,11-14H2,(H,22,24)
InChIKeyQPZFILYNTPPCLB-UHFFFAOYSA-N
XLogP2.96
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 111784693
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 111784685
3-cyclopentyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-methylpropanamide
CID 111784848
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 111784596
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-methylcycloheptane-1-carboxamide
CID 110027805
2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]propanamide
CID 75381073
1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111793371
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide
CID 111784465
4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide
CID 71862079
2-(cyclohexen-1-yl)-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]acetamide
CID 111784877
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide
CID 111784444
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide
CID 111784780

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (CID 109478271) is N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is O=C(NCC(CO)Cc1ccccn1)C1CCC2CCCCC2C1.
What is the InChIKey of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The InChIKey is QPZFILYNTPPCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c23-14-15(11-19-7-3-4-10-21-19)13-22-20(24)18-9-8-16-5-1-2-6-17(16)12-18/h3-4,7,10,15-18,23H,1-2,5-6,8-9,11-14H2,(H,22,24).
What are the key properties of N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is sourced from PubChem (CID 109478271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).