N-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide

C13H15N3O — CID 98475772

IUPACN-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide
SMILESO=C(N/N=C1\C[C@H]2CC[C@H]1C2)c1ccccn1
InChIInChI=1S/C13H15N3O/c17-13(11-3-1-2-6-14-11)16-15-12-8-9-4-5-10(12)7-9/h1-3,6,9-10H,4-5,7-8H2,(H,16,17)/b15-12+/t9-,10-/m0/s1
InChIKeyJOMMGSHZFUTLSY-KDHZCHSCSA-N
MW229.28 g/mol
LogP1.99
Rot. Bonds2

About N-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide

N-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide (PubChem CID 98475772) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide
PubChem CID98475772
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide
SMILESO=C(N/N=C1\C[C@H]2CC[C@H]1C2)c1ccccn1
InChIInChI=1S/C13H15N3O/c17-13(11-3-1-2-6-14-11)16-15-12-8-9-4-5-10(12)7-9/h1-3,6,9-10H,4-5,7-8H2,(H,16,17)/b15-12+/t9-,10-/m0/s1
InChIKeyJOMMGSHZFUTLSY-KDHZCHSCSA-N
XLogP1.99
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.99
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-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide
CID 98111329
N-[[(1R,3S)-5-hydroxy-2-adamantylidene]amino]pyridine-2-carboxamide
CID 768050
N,N'-bis[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]oxamide
CID 98829133
N-[(Z)-[(1R,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-2-hydroxynaphthalene-1-carboxamide
CID 94008914
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]pyridine-2-carboxamide
CID 7921930
N-[(E)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-4-(dimethylamino)benzamide
CID 28742334
N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methoxybenzamide
CID 4251233
N-(2-bicyclo[2.2.1]heptanylideneamino)cyclopropanecarboxamide
CID 4090822
N-(2-bicyclo[2.2.1]heptanylideneamino)-3-methoxybenzamide
CID 4123679
N-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4,5-trimethoxybenzamide
CID 7308879
N-[(Z)-2-bicyclo[2.2.1]heptanylideneamino]-2-naphthalen-2-yloxyacetamide
CID 6013484
N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide
CID 23327830

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide (CID 98475772) is N-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide is O=C(N/N=C1\C[C@H]2CC[C@H]1C2)c1ccccn1.
What is the InChIKey of N-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide?
The InChIKey is JOMMGSHZFUTLSY-KDHZCHSCSA-N. The full InChI is InChI=1S/C13H15N3O/c17-13(11-3-1-2-6-14-11)16-15-12-8-9-4-5-10(12)7-9/h1-3,6,9-10H,4-5,7-8H2,(H,16,17)/b15-12+/t9-,10-/m0/s1.
What are the key properties of N-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide?
N-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide is sourced from PubChem (CID 98475772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).