N-[(Z)-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]pyridine-4-carboxamide

C16H19N3O — CID 98390251

IUPACN-[(Z)-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]pyridine-4-carboxamide
SMILESCC1(C)[C@H]2CC=C(/C=N\NC(=O)c3ccncc3)[C@H]1C2
InChIInChI=1S/C16H19N3O/c1-16(2)13-4-3-12(14(16)9-13)10-18-19-15(20)11-5-7-17-8-6-11/h3,5-8,10,13-14H,4,9H2,1-2H3,(H,19,20)/b18-10-/t13-,14+/m0/s1
InChIKeyRKMIHGGMEVPUDD-CXAXULKWSA-N
MW269.35 g/mol
LogP2.79
Rot. Bonds3

About N-[(Z)-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]pyridine-4-carboxamide

N-[(Z)-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 98390251) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(Z)-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]pyridine-4-carboxamide
PubChem CID98390251
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[(Z)-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]pyridine-4-carboxamide
SMILESCC1(C)[C@H]2CC=C(/C=N\NC(=O)c3ccncc3)[C@H]1C2
InChIInChI=1S/C16H19N3O/c1-16(2)13-4-3-12(14(16)9-13)10-18-19-15(20)11-5-7-17-8-6-11/h3,5-8,10,13-14H,4,9H2,1-2H3,(H,19,20)/b18-10-/t13-,14+/m0/s1
InChIKeyRKMIHGGMEVPUDD-CXAXULKWSA-N
XLogP2.79
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(E)-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 46804310
3-amino-N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-5-nitrobenzamide
CID 129434613
ethyl N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]carbamate
CID 4671305
N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 71900864
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
N-[(Z)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 29355727
N-[(E)-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 166435198
N-[(Z)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 98307977
N-[(E)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2,3,5,6-tetrafluoropyridin-4-amine
CID 97021869
N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2,3,5,6-tetrafluoropyridin-4-amine
CID 129420595
N-[(2-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690992
(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde
CID 1201529

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]pyridine-4-carboxamide (CID 98390251) is N-[(Z)-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]pyridine-4-carboxamide is CC1(C)[C@H]2CC=C(/C=N\NC(=O)c3ccncc3)[C@H]1C2.
What is the InChIKey of N-[(Z)-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is RKMIHGGMEVPUDD-CXAXULKWSA-N. The full InChI is InChI=1S/C16H19N3O/c1-16(2)13-4-3-12(14(16)9-13)10-18-19-15(20)11-5-7-17-8-6-11/h3,5-8,10,13-14H,4,9H2,1-2H3,(H,19,20)/b18-10-/t13-,14+/m0/s1.
What are the key properties of N-[(Z)-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]pyridine-4-carboxamide?
N-[(Z)-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 98390251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).