N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)naphthalene-1-carboxamide

C17H18N2O — CID 114693786

IUPACN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)naphthalene-1-carboxamide
SMILESO=C(NCC1=CCNCC1)c1cccc2ccccc12
InChIInChI=1S/C17H18N2O/c20-17(19-12-13-8-10-18-11-9-13)16-7-3-5-14-4-1-2-6-15(14)16/h1-8,18H,9-12H2,(H,19,20)
InChIKeyBNFVLRGEQBAMAA-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.49
Rot. Bonds3

About N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)naphthalene-1-carboxamide

N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)naphthalene-1-carboxamide (PubChem CID 114693786) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)naphthalene-1-carboxamide
PubChem CID114693786
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)naphthalene-1-carboxamide
SMILESO=C(NCC1=CCNCC1)c1cccc2ccccc12
InChIInChI=1S/C17H18N2O/c20-17(19-12-13-8-10-18-11-9-13)16-7-3-5-14-4-1-2-6-15(14)16/h1-8,18H,9-12H2,(H,19,20)
InChIKeyBNFVLRGEQBAMAA-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 114693546
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinoline-8-carboxamide
CID 114693848
3-chloro-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 107098368
N-(1H-pyrrol-2-ylmethyl)naphthalene-1-carboxamide
CID 110440178
2,4-dichloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 114693780
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)but-3-enamide
CID 114693610
N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 79689471
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinoline-1-carboxamide
CID 107487027
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-1H-indazole-6-carboxamide
CID 114693720
N-(pyridin-1-ium-2-ylmethyl)naphthalene-1-carboxamide
CID 4056406
N-[[4-(hydroxycarbamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 10125717

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)naphthalene-1-carboxamide?
The IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)naphthalene-1-carboxamide (CID 114693786) is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)naphthalene-1-carboxamide is O=C(NCC1=CCNCC1)c1cccc2ccccc12.
What is the InChIKey of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)naphthalene-1-carboxamide?
The InChIKey is BNFVLRGEQBAMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-17(19-12-13-8-10-18-11-9-13)16-7-3-5-14-4-1-2-6-15(14)16/h1-8,18H,9-12H2,(H,19,20).
What are the key properties of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)naphthalene-1-carboxamide?
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)naphthalene-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)naphthalene-1-carboxamide is sourced from PubChem (CID 114693786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).