N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]azocane-1-carboxamide

C17H27N3O — CID 125442514

IUPACN-[(1S)-2-methyl-1-pyridin-3-ylpropyl]azocane-1-carboxamide
SMILESCC(C)[C@H](NC(=O)N1CCCCCCC1)c1cccnc1
InChIInChI=1S/C17H27N3O/c1-14(2)16(15-9-8-10-18-13-15)19-17(21)20-11-6-4-3-5-7-12-20/h8-10,13-14,16H,3-7,11-12H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyFMYRBWDAXIRBLC-INIZCTEOSA-N
MW289.42 g/mol
LogP3.75
Rot. Bonds3

About N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]azocane-1-carboxamide

N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]azocane-1-carboxamide (PubChem CID 125442514) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]azocane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-pyridin-3-ylpropyl]azocane-1-carboxamide
PubChem CID125442514
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[(1S)-2-methyl-1-pyridin-3-ylpropyl]azocane-1-carboxamide
SMILESCC(C)[C@H](NC(=O)N1CCCCCCC1)c1cccnc1
InChIInChI=1S/C17H27N3O/c1-14(2)16(15-9-8-10-18-13-15)19-17(21)20-11-6-4-3-5-7-12-20/h8-10,13-14,16H,3-7,11-12H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyFMYRBWDAXIRBLC-INIZCTEOSA-N
XLogP3.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide
CID 125158462
3-(azocan-1-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]propanamide
CID 125158460
N-(1-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 115576612
[6-[(2-methyl-1-pyridin-3-ylpropyl)amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134711585
1-piperidin-1-yl-2-(1-pyridin-3-ylethylamino)propan-1-one
CID 43396360
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 115578693
2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81404885
N-(2-methyl-1-pyridin-3-ylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 118773371
N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 125164687
N-[(1S)-2-methyl-1-phenylpropyl]morpholine-4-carboxamide
CID 34672149
N-[1-(4-tert-butylphenyl)-2-methylpropyl]azetidine-1-carboxamide
CID 71900527

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]azocane-1-carboxamide?
The IUPAC name of N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]azocane-1-carboxamide (CID 125442514) is N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]azocane-1-carboxamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]azocane-1-carboxamide?
The canonical SMILES for N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]azocane-1-carboxamide is CC(C)[C@H](NC(=O)N1CCCCCCC1)c1cccnc1.
What is the InChIKey of N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]azocane-1-carboxamide?
The InChIKey is FMYRBWDAXIRBLC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(2)16(15-9-8-10-18-13-15)19-17(21)20-11-6-4-3-5-7-12-20/h8-10,13-14,16H,3-7,11-12H2,1-2H3,(H,19,21)/t16-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]azocane-1-carboxamide?
N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]azocane-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]azocane-1-carboxamide is sourced from PubChem (CID 125442514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).