N-[(Z)-[(1S,4S,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-4-carboxamide

C16H21N3O — CID 5418618

IUPACN-[(Z)-[(1S,4S,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-4-carboxamide
SMILESC[C@H]1[C@@H]2C[C@@H](C/C2=N/NC(=O)c2ccncc2)C1(C)C
InChIInChI=1S/C16H21N3O/c1-10-13-8-12(16(10,2)3)9-14(13)18-19-15(20)11-4-6-17-7-5-11/h4-7,10,12-13H,8-9H2,1-3H3,(H,19,20)/b18-14-/t10-,12-,13-/m0/s1
InChIKeyIOTDVNRGAXIZDI-HXHLMQFMSA-N
MW271.36 g/mol
LogP2.87
Rot. Bonds2

About N-[(Z)-[(1S,4S,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-4-carboxamide

N-[(Z)-[(1S,4S,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-4-carboxamide (PubChem CID 5418618) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(Z)-[(1S,4S,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(1S,4S,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-4-carboxamide
PubChem CID5418618
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(Z)-[(1S,4S,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-4-carboxamide
SMILESC[C@H]1[C@@H]2C[C@@H](C/C2=N/NC(=O)c2ccncc2)C1(C)C
InChIInChI=1S/C16H21N3O/c1-10-13-8-12(16(10,2)3)9-14(13)18-19-15(20)11-4-6-17-7-5-11/h4-7,10,12-13H,8-9H2,1-3H3,(H,19,20)/b18-14-/t10-,12-,13-/m0/s1
InChIKeyIOTDVNRGAXIZDI-HXHLMQFMSA-N
XLogP2.87
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.87
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-[[(1R,4S,6R)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-2-carboxamide
CID 23308526
N-[(Z)-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]pyridine-4-carboxamide
CID 98390251
N-[(E)-(1-methyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]pyridine-4-carboxamide
CID 6342846
N-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]pyridine-4-carboxamide
CID 5356472
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
N-(1,3-dithiolan-2-ylideneamino)pyridine-4-carboxamide
CID 1280746
N-(cyclohexylideneamino)pyridine-4-carboxamide
CID 27256
N-[(E)-(2-nitrocyclohexylidene)amino]pyridine-4-carboxamide
CID 6372774
N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide
CID 6114549
[(1S,3R,3aR,4E,6aR)-3-benzoyloxy-4-(pyridine-4-carbonylhydrazinylidene)-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl] benzoate
CID 155556561
N-[[(10R,13S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]amino]pyridine-4-carboxamide
CID 171157239
N-[(Z)-[(5S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ylidene]amino]pyridine-4-carboxamide
CID 134089888

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1S,4S,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-[(1S,4S,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-4-carboxamide (CID 5418618) is N-[(Z)-[(1S,4S,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-[(1S,4S,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-[(1S,4S,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-4-carboxamide is C[C@H]1[C@@H]2C[C@@H](C/C2=N/NC(=O)c2ccncc2)C1(C)C.
What is the InChIKey of N-[(Z)-[(1S,4S,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-4-carboxamide?
The InChIKey is IOTDVNRGAXIZDI-HXHLMQFMSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10-13-8-12(16(10,2)3)9-14(13)18-19-15(20)11-4-6-17-7-5-11/h4-7,10,12-13H,8-9H2,1-3H3,(H,19,20)/b18-14-/t10-,12-,13-/m0/s1.
What are the key properties of N-[(Z)-[(1S,4S,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-4-carboxamide?
N-[(Z)-[(1S,4S,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-4-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1S,4S,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-4-carboxamide is sourced from PubChem (CID 5418618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).