N-(2-adamantylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide

C25H24N4O — CID 9078583

IUPACN-(2-adamantylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NN=C1C2CC3CC(C2)CC1C3)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C25H24N4O/c30-25(29-28-24-18-9-15-8-16(11-18)12-19(24)10-15)21-13-23(17-4-3-7-26-14-17)27-22-6-2-1-5-20(21)22/h1-7,13-16,18-19H,8-12H2,(H,29,30)/b28-24-
InChIKeyZAWIFDCTXHHUCX-COOPMVRXSA-N
MW396.49 g/mol
LogP4.84
Rot. Bonds3

About N-(2-adamantylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide

N-(2-adamantylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 9078583) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(2-adamantylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-adamantylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID9078583
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-(2-adamantylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NN=C1C2CC3CC(C2)CC1C3)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C25H24N4O/c30-25(29-28-24-18-9-15-8-16(11-18)12-19(24)10-15)21-13-23(17-4-3-7-26-14-17)27-22-6-2-1-5-20(21)22/h1-7,13-16,18-19H,8-12H2,(H,29,30)/b28-24-
InChIKeyZAWIFDCTXHHUCX-COOPMVRXSA-N
XLogP4.84
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
N-(2,3-dihydroinden-1-ylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide
CID 3277531
N-[(Z)-butan-2-ylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078554
N-(8-cyclopropyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 166268674
N-[(2-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3350380
N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2082865
N-(2-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39889991
N-(4-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39311131
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078505
N-naphthalen-1-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25180097
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-adamantylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide (CID 9078583) is N-(2-adamantylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-adamantylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-adamantylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide is O=C(NN=C1C2CC3CC(C2)CC1C3)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-(2-adamantylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is ZAWIFDCTXHHUCX-COOPMVRXSA-N. The full InChI is InChI=1S/C25H24N4O/c30-25(29-28-24-18-9-15-8-16(11-18)12-19(24)10-15)21-13-23(17-4-3-7-26-14-17)27-22-6-2-1-5-20(21)22/h1-7,13-16,18-19H,8-12H2,(H,29,30)/b28-24-.
What are the key properties of N-(2-adamantylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide?
N-(2-adamantylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 9078583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).