N-[(E)-5,6-dihydrocyclopenta[b]pyridin-7-ylideneamino]-2-methylbenzamide

C16H15N3O — CID 172975110

IUPACN-[(E)-5,6-dihydrocyclopenta[b]pyridin-7-ylideneamino]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/N=C1\CCc2cccnc21
InChIInChI=1S/C16H15N3O/c1-11-5-2-3-7-13(11)16(20)19-18-14-9-8-12-6-4-10-17-15(12)14/h2-7,10H,8-9H2,1H3,(H,19,20)/b18-14+
InChIKeyTUHRAIQHTFLXPV-NBVRZTHBSA-N
MW265.32 g/mol
LogP2.47
Rot. Bonds2

About N-[(E)-5,6-dihydrocyclopenta[b]pyridin-7-ylideneamino]-2-methylbenzamide

N-[(E)-5,6-dihydrocyclopenta[b]pyridin-7-ylideneamino]-2-methylbenzamide (PubChem CID 172975110) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[(E)-5,6-dihydrocyclopenta[b]pyridin-7-ylideneamino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-5,6-dihydrocyclopenta[b]pyridin-7-ylideneamino]-2-methylbenzamide
PubChem CID172975110
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-[(E)-5,6-dihydrocyclopenta[b]pyridin-7-ylideneamino]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/N=C1\CCc2cccnc21
InChIInChI=1S/C16H15N3O/c1-11-5-2-3-7-13(11)16(20)19-18-14-9-8-12-6-4-10-17-15(12)14/h2-7,10H,8-9H2,1H3,(H,19,20)/b18-14+
InChIKeyTUHRAIQHTFLXPV-NBVRZTHBSA-N
XLogP2.47
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.47
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)-6,7-dihydro-5H-quinolin-8-ylideneamino]-4-methoxybenzamide
CID 164702540
N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]pyridine-3-carboxamide
CID 168874969
(Z)-3-amino-2-aminosulfanyl-N-[(E)-6,7-dihydro-5H-quinolin-8-ylideneamino]but-2-enamide
CID 162738337
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6185796
2-methyl-N-[[4-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzamide
CID 68876204
N-(3-hydroxy-2-pyridinyl)-2-methylbenzamide
CID 110462446
2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 71985815
2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide
CID 6525291
2-methyl-N-[(3-methylcyclohexylidene)amino]benzamide
CID 4165191
N-[(Z)-(2-ethylcyclopentylidene)amino]-2-methylbenzamide
CID 6079142
N-(1H-imidazol-2-yl)-2-methylbenzamide
CID 60968635
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide
CID 4999116

Frequently Asked Questions

What is the IUPAC name of N-[(E)-5,6-dihydrocyclopenta[b]pyridin-7-ylideneamino]-2-methylbenzamide?
The IUPAC name of N-[(E)-5,6-dihydrocyclopenta[b]pyridin-7-ylideneamino]-2-methylbenzamide (CID 172975110) is N-[(E)-5,6-dihydrocyclopenta[b]pyridin-7-ylideneamino]-2-methylbenzamide.
What is the SMILES notation for N-[(E)-5,6-dihydrocyclopenta[b]pyridin-7-ylideneamino]-2-methylbenzamide?
The canonical SMILES for N-[(E)-5,6-dihydrocyclopenta[b]pyridin-7-ylideneamino]-2-methylbenzamide is Cc1ccccc1C(=O)N/N=C1\CCc2cccnc21.
What is the InChIKey of N-[(E)-5,6-dihydrocyclopenta[b]pyridin-7-ylideneamino]-2-methylbenzamide?
The InChIKey is TUHRAIQHTFLXPV-NBVRZTHBSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-5-2-3-7-13(11)16(20)19-18-14-9-8-12-6-4-10-17-15(12)14/h2-7,10H,8-9H2,1H3,(H,19,20)/b18-14+.
What are the key properties of N-[(E)-5,6-dihydrocyclopenta[b]pyridin-7-ylideneamino]-2-methylbenzamide?
N-[(E)-5,6-dihydrocyclopenta[b]pyridin-7-ylideneamino]-2-methylbenzamide has a molecular weight of 265.32 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5,6-dihydrocyclopenta[b]pyridin-7-ylideneamino]-2-methylbenzamide is sourced from PubChem (CID 172975110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).