3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide

C17H20N2O2 — CID 65106022

IUPAC3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
SMILESNc1cc2ccccc2cc1C(=O)NCC1(O)CCCC1
InChIInChI=1S/C17H20N2O2/c18-15-10-13-6-2-1-5-12(13)9-14(15)16(20)19-11-17(21)7-3-4-8-17/h1-2,5-6,9-10,21H,3-4,7-8,11,18H2,(H,19,20)
InChIKeyCGALPTDGRHFPRW-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.46
Rot. Bonds3

About 3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide

3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide (PubChem CID 65106022) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
PubChem CID65106022
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
SMILESNc1cc2ccccc2cc1C(=O)NCC1(O)CCCC1
InChIInChI=1S/C17H20N2O2/c18-15-10-13-6-2-1-5-12(13)9-14(15)16(20)19-11-17(21)7-3-4-8-17/h1-2,5-6,9-10,21H,3-4,7-8,11,18H2,(H,19,20)
InChIKeyCGALPTDGRHFPRW-UHFFFAOYSA-N
XLogP2.46
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 106101486
2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 65106081
2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide
CID 65103770
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113744
N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide
CID 111445480
3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 65103774
2-acetyl-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111538677
3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide
CID 61209356
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
5-amino-2-bromo-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65104033
5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123464
2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 115540784

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide (CID 65106022) is 3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide is Nc1cc2ccccc2cc1C(=O)NCC1(O)CCCC1.
What is the InChIKey of 3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide?
The InChIKey is CGALPTDGRHFPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-15-10-13-6-2-1-5-12(13)9-14(15)16(20)19-11-17(21)7-3-4-8-17/h1-2,5-6,9-10,21H,3-4,7-8,11,18H2,(H,19,20).
What are the key properties of 3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide?
3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 65106022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).