3-amino-N-(3-cyanopropyl)naphthalene-2-carboxamide

C15H15N3O — CID 55101985

IUPAC3-amino-N-(3-cyanopropyl)naphthalene-2-carboxamide
SMILESN#CCCCNC(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C15H15N3O/c16-7-3-4-8-18-15(19)13-9-11-5-1-2-6-12(11)10-14(13)17/h1-2,5-6,9-10H,3-4,8,17H2,(H,18,19)
InChIKeyOWFAUFZLZJSXNT-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.46
Rot. Bonds4

About 3-amino-N-(3-cyanopropyl)naphthalene-2-carboxamide

3-amino-N-(3-cyanopropyl)naphthalene-2-carboxamide (PubChem CID 55101985) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-amino-N-(3-cyanopropyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-cyanopropyl)naphthalene-2-carboxamide
PubChem CID55101985
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name3-amino-N-(3-cyanopropyl)naphthalene-2-carboxamide
SMILESN#CCCCNC(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C15H15N3O/c16-7-3-4-8-18-15(19)13-9-11-5-1-2-6-12(11)10-14(13)17/h1-2,5-6,9-10H,3-4,8,17H2,(H,18,19)
InChIKeyOWFAUFZLZJSXNT-UHFFFAOYSA-N
XLogP2.46
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-fluoropropyl)naphthalene-2-carboxamide
CID 114266969
3-amino-N-(3-methylsulfanylpropyl)naphthalene-2-carboxamide
CID 63957570
2-chloro-N-(3-cyanopropyl)benzamide
CID 62666629
3-amino-N-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
CID 61209338
3-amino-N-(3-methylsulfinylbutyl)naphthalene-2-carboxamide
CID 115734819
N-(3-cyanopropyl)benzamide
CID 62666234
3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
CID 65106022
3-amino-N-(2-cyanoethyl)-N-methylnaphthalene-2-carboxamide
CID 61207818
3-amino-N-[2-(methanesulfonamido)ethyl]naphthalene-2-carboxamide
CID 61209537
2-amino-N-(2-cyanoethyl)-5-methoxybenzamide
CID 115412506
3-amino-N-prop-2-enylnaphthalene-2-carboxamide
CID 61207809
3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide
CID 102694900

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-cyanopropyl)naphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-(3-cyanopropyl)naphthalene-2-carboxamide (CID 55101985) is 3-amino-N-(3-cyanopropyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-cyanopropyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-cyanopropyl)naphthalene-2-carboxamide is N#CCCCNC(=O)c1cc2ccccc2cc1N.
What is the InChIKey of 3-amino-N-(3-cyanopropyl)naphthalene-2-carboxamide?
The InChIKey is OWFAUFZLZJSXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-7-3-4-8-18-15(19)13-9-11-5-1-2-6-12(11)10-14(13)17/h1-2,5-6,9-10H,3-4,8,17H2,(H,18,19).
What are the key properties of 3-amino-N-(3-cyanopropyl)naphthalene-2-carboxamide?
3-amino-N-(3-cyanopropyl)naphthalene-2-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-cyanopropyl)naphthalene-2-carboxamide is sourced from PubChem (CID 55101985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).