N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide

C19H20N2O — CID 129439089

IUPACN-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide
SMILESO=C(NN=C[C@H]1C[C@H]2CC[C@H]1C2)c1cccc2ccccc12
InChIInChI=1S/C19H20N2O/c22-19(18-7-3-5-14-4-1-2-6-17(14)18)21-20-12-16-11-13-8-9-15(16)10-13/h1-7,12-13,15-16H,8-11H2,(H,21,22)/t13-,15-,16+/m0/s1
InChIKeyKFIUXNZZXXZIDB-CWRNSKLLSA-N
MW292.38 g/mol
LogP3.99
Rot. Bonds3

About N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide

N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide (PubChem CID 129439089) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide
PubChem CID129439089
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide
SMILESO=C(NN=C[C@H]1C[C@H]2CC[C@H]1C2)c1cccc2ccccc12
InChIInChI=1S/C19H20N2O/c22-19(18-7-3-5-14-4-1-2-6-17(14)18)21-20-12-16-11-13-8-9-15(16)10-13/h1-7,12-13,15-16H,8-11H2,(H,21,22)/t13-,15-,16+/m0/s1
InChIKeyKFIUXNZZXXZIDB-CWRNSKLLSA-N
XLogP3.99
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethylideneamino)-2-bromobenzamide
CID 3098524
N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-1H-indole-3-carboxamide
CID 6545059
N-[(Z)-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-nitrobenzamide
CID 5454756
N-[(Z)-[(1S,2S,4S,6R)-6-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide
CID 98098081
N-[(Z)-[(1R,2R,4R,6R)-6-(trifluoromethyl)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide
CID 7438153
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)naphthalene-1-carboxamide
CID 5122775
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2,4-dichlorobenzamide
CID 129438748
N-[(Z)-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]furan-2-carboxamide
CID 7290216
N-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-5-chloro-2-hydroxybenzamide
CID 11880265
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide
CID 2933783
N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6982485
N,N'-bis(2-bicyclo[2.2.1]heptanylmethylideneamino)hexanediamide
CID 3645839

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide?
The IUPAC name of N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide (CID 129439089) is N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide is O=C(NN=C[C@H]1C[C@H]2CC[C@H]1C2)c1cccc2ccccc12.
What is the InChIKey of N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide?
The InChIKey is KFIUXNZZXXZIDB-CWRNSKLLSA-N. The full InChI is InChI=1S/C19H20N2O/c22-19(18-7-3-5-14-4-1-2-6-17(14)18)21-20-12-16-11-13-8-9-15(16)10-13/h1-7,12-13,15-16H,8-11H2,(H,21,22)/t13-,15-,16+/m0/s1.
What are the key properties of N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide?
N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 129439089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).