4-[(6-chloro-3-pyridinyl)methyl]-1-fluoro-N-heptan-2-ylnaphthalene-2-carboxamide

C24H26ClFN2O — CID 144891463

IUPAC4-[(6-chloro-3-pyridinyl)methyl]-1-fluoro-N-heptan-2-ylnaphthalene-2-carboxamide
SMILESCCCCCC(C)NC(=O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2c1F
InChIInChI=1S/C24H26ClFN2O/c1-3-4-5-8-16(2)28-24(29)21-14-18(13-17-11-12-22(25)27-15-17)19-9-6-7-10-20(19)23(21)26/h6-7,9-12,14-16H,3-5,8,13H2,1-2H3,(H,28,29)
InChIKeyONZCYBXXZAPFOL-UHFFFAOYSA-N
MW412.94 g/mol
LogP6.32
Rot. Bonds8

About 4-[(6-chloro-3-pyridinyl)methyl]-1-fluoro-N-heptan-2-ylnaphthalene-2-carboxamide

4-[(6-chloro-3-pyridinyl)methyl]-1-fluoro-N-heptan-2-ylnaphthalene-2-carboxamide (PubChem CID 144891463) has the molecular formula C24H26ClFN2O and a molecular weight of 412.94 g/mol. Its IUPAC name is 4-[(6-chloro-3-pyridinyl)methyl]-1-fluoro-N-heptan-2-ylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-[(6-chloro-3-pyridinyl)methyl]-1-fluoro-N-heptan-2-ylnaphthalene-2-carboxamide
PubChem CID144891463
Molecular FormulaC24H26ClFN2O
Molecular Weight412.94 g/mol
Exact Mass412.17
IUPAC Name4-[(6-chloro-3-pyridinyl)methyl]-1-fluoro-N-heptan-2-ylnaphthalene-2-carboxamide
SMILESCCCCCC(C)NC(=O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2c1F
InChIInChI=1S/C24H26ClFN2O/c1-3-4-5-8-16(2)28-24(29)21-14-18(13-17-11-12-22(25)27-15-17)19-9-6-7-10-20(19)23(21)26/h6-7,9-12,14-16H,3-5,8,13H2,1-2H3,(H,28,29)
InChIKeyONZCYBXXZAPFOL-UHFFFAOYSA-N
XLogP6.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.94
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

methyl 4-[(6-chloro-3-pyridinyl)methyl]-1-methoxynaphthalene-2-carboxylate
CID 86677537
2-fluoro-3-methyl-N-octan-2-ylbenzamide
CID 81480572
2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105381129
2-amino-3-fluoro-N-heptan-2-ylpyridine-4-carboxamide
CID 105385875
2-chloro-N-heptan-2-ylpyridine-4-carboxamide
CID 60716706
2,3-difluoro-N-hexan-2-ylbenzamide
CID 55099872
2-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-heptan-2-ylguanidine;hydroiodide
CID 111195887
5-amino-2,4-difluoro-N-heptan-2-ylbenzamide
CID 61094469
5-chloro-2-hydrazinyl-N-octan-2-ylbenzamide
CID 62247800
5-chloro-2-(ethylamino)-N-octan-2-ylpyridine-4-carboxamide
CID 114922691
4-[(6-chloro-3-pyridinyl)methyl]-N-[(2S)-2-hydroxycyclohexyl]-1-(methylaminomethyl)naphthalene-2-carboxamide
CID 130441262
2-chloro-6-fluoro-N-heptan-2-ylbenzamide
CID 78789535

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-3-pyridinyl)methyl]-1-fluoro-N-heptan-2-ylnaphthalene-2-carboxamide?
The IUPAC name of 4-[(6-chloro-3-pyridinyl)methyl]-1-fluoro-N-heptan-2-ylnaphthalene-2-carboxamide (CID 144891463) is 4-[(6-chloro-3-pyridinyl)methyl]-1-fluoro-N-heptan-2-ylnaphthalene-2-carboxamide.
What is the SMILES notation for 4-[(6-chloro-3-pyridinyl)methyl]-1-fluoro-N-heptan-2-ylnaphthalene-2-carboxamide?
The canonical SMILES for 4-[(6-chloro-3-pyridinyl)methyl]-1-fluoro-N-heptan-2-ylnaphthalene-2-carboxamide is CCCCCC(C)NC(=O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2c1F.
What is the InChIKey of 4-[(6-chloro-3-pyridinyl)methyl]-1-fluoro-N-heptan-2-ylnaphthalene-2-carboxamide?
The InChIKey is ONZCYBXXZAPFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN2O/c1-3-4-5-8-16(2)28-24(29)21-14-18(13-17-11-12-22(25)27-15-17)19-9-6-7-10-20(19)23(21)26/h6-7,9-12,14-16H,3-5,8,13H2,1-2H3,(H,28,29).
What are the key properties of 4-[(6-chloro-3-pyridinyl)methyl]-1-fluoro-N-heptan-2-ylnaphthalene-2-carboxamide?
4-[(6-chloro-3-pyridinyl)methyl]-1-fluoro-N-heptan-2-ylnaphthalene-2-carboxamide has a molecular weight of 412.94 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-3-pyridinyl)methyl]-1-fluoro-N-heptan-2-ylnaphthalene-2-carboxamide is sourced from PubChem (CID 144891463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).