1-[6-chloro-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone

C19H25ClN4O — CID 71667497

IUPAC1-[6-chloro-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2ccc(Cl)nc2c1NC1CCC(CN(C)C)CC1
InChIInChI=1S/C19H25ClN4O/c1-12(25)15-10-21-16-8-9-17(20)23-19(16)18(15)22-14-6-4-13(5-7-14)11-24(2)3/h8-10,13-14H,4-7,11H2,1-3H3,(H,21,22)
InChIKeyXTHDCRACMUNCHP-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.02
Rot. Bonds5

About 1-[6-chloro-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone

1-[6-chloro-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone (PubChem CID 71667497) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 1-[6-chloro-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-chloro-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone
PubChem CID71667497
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name1-[6-chloro-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone
SMILESCC(=O)c1cnc2ccc(Cl)nc2c1NC1CCC(CN(C)C)CC1
InChIInChI=1S/C19H25ClN4O/c1-12(25)15-10-21-16-8-9-17(20)23-19(16)18(15)22-14-6-4-13(5-7-14)11-24(2)3/h8-10,13-14H,4-7,11H2,1-3H3,(H,21,22)
InChIKeyXTHDCRACMUNCHP-UHFFFAOYSA-N
XLogP4.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-chlorophenyl)pyridine-2-carboxamide
CID 68187478
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(7-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 5495829
(4-benzoyl-piperazin-1-yl)-2-(7-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-ethane-1,2-dione
CID 59693829
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-(7-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 59694032
N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-1,6-naphthyridine-8-carboxamide
CID 72188489
N-[1-(2,5-dichloro-4-pyridinyl)azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide
CID 135125815
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N-(2-cyclohexyl-2-oxoethyl)pyrazine-2-carboxamide
CID 45271068
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-(2-cyclohexyl-2-oxoethyl)pyrazine-2-carboxamide
CID 45272787
2-chloro-5-methyl-N-(quinolin-3-yl)nicotinamide
CID 52946719
4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-6-pyridin-3-ylquinoline-3-carboxamide
CID 155550395
3-Butyryl-4-(2-chlorophenylamino)-8-methylquinoline
CID 9997295
Synthesis of N-(2-aminoethyl)-4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino] pyridine-3-carboxamide
CID 118211015

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone?
The IUPAC name of 1-[6-chloro-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone (CID 71667497) is 1-[6-chloro-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone.
What is the SMILES notation for 1-[6-chloro-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone?
The canonical SMILES for 1-[6-chloro-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone is CC(=O)c1cnc2ccc(Cl)nc2c1NC1CCC(CN(C)C)CC1.
What is the InChIKey of 1-[6-chloro-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone?
The InChIKey is XTHDCRACMUNCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-12(25)15-10-21-16-8-9-17(20)23-19(16)18(15)22-14-6-4-13(5-7-14)11-24(2)3/h8-10,13-14H,4-7,11H2,1-3H3,(H,21,22).
What are the key properties of 1-[6-chloro-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone?
1-[6-chloro-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone has a molecular weight of 360.89 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 71667497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).