(5-amino-4-anilino-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dichlorophenyl)methanone

C18H17Cl2N3O — CID 129153045

IUPAC(5-amino-4-anilino-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dichlorophenyl)methanone
SMILESNC1=C(Nc2ccccc2)CCN(C(=O)c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C18H17Cl2N3O/c19-14-8-4-7-13(17(14)20)18(24)23-10-9-16(15(21)11-23)22-12-5-2-1-3-6-12/h1-8,22H,9-11,21H2
InChIKeyKHXGBFWQMLYHMW-UHFFFAOYSA-N
MW362.26 g/mol
LogP4.12
Rot. Bonds3

About (5-amino-4-anilino-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dichlorophenyl)methanone

(5-amino-4-anilino-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dichlorophenyl)methanone (PubChem CID 129153045) has the molecular formula C18H17Cl2N3O and a molecular weight of 362.26 g/mol. Its IUPAC name is (5-amino-4-anilino-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dichlorophenyl)methanone.

Molecular Properties

Compound Name(5-amino-4-anilino-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dichlorophenyl)methanone
PubChem CID129153045
Molecular FormulaC18H17Cl2N3O
Molecular Weight362.26 g/mol
Exact Mass361.07
IUPAC Name(5-amino-4-anilino-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dichlorophenyl)methanone
SMILESNC1=C(Nc2ccccc2)CCN(C(=O)c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C18H17Cl2N3O/c19-14-8-4-7-13(17(14)20)18(24)23-10-9-16(15(21)11-23)22-12-5-2-1-3-6-12/h1-8,22H,9-11,21H2
InChIKeyKHXGBFWQMLYHMW-UHFFFAOYSA-N
XLogP4.12
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-anilino-5-hydrazinyl-3,6-dihydro-2H-pyridin-1-yl)-[2-chloro-3-(trifluoromethyl)phenyl]methanone
CID 129152906
[5-amino-4-(pyrimidin-2-ylamino)-3,6-dihydro-2H-pyridin-1-yl]-[2-chloro-3-(trifluoromethyl)phenyl]methanone
CID 129153070
[5-amino-4-(pyridin-2-ylamino)-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichloro-4-fluorophenyl)methanone
CID 129152961
[5-amino-4-[(2-methylpyrazol-3-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-chloro-3-(trifluoromethyl)phenyl]methanone
CID 129153101
[5-amino-4-[(4-fluoro-2-pyridinyl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-chloro-3-[difluoro(phosphanyl)methyl]phenyl]methanone
CID 134547297
(2,3-dichlorophenyl)-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
CID 86270818
[5-amino-4-[(4-ethylpyrimidin-2-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-chloro-3-(trifluoromethyl)phenyl]methanone
CID 134547348
2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-2-phenylethanone
CID 119287873
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
3-amino-1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylic acid
CID 107323701
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2-chlorophenyl)methanone
CID 69269263
(2,3-dichlorophenyl)-(1-pyridin-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 86271661

Frequently Asked Questions

What is the IUPAC name of (5-amino-4-anilino-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dichlorophenyl)methanone?
The IUPAC name of (5-amino-4-anilino-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dichlorophenyl)methanone (CID 129153045) is (5-amino-4-anilino-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dichlorophenyl)methanone.
What is the SMILES notation for (5-amino-4-anilino-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dichlorophenyl)methanone?
The canonical SMILES for (5-amino-4-anilino-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dichlorophenyl)methanone is NC1=C(Nc2ccccc2)CCN(C(=O)c2cccc(Cl)c2Cl)C1.
What is the InChIKey of (5-amino-4-anilino-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dichlorophenyl)methanone?
The InChIKey is KHXGBFWQMLYHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O/c19-14-8-4-7-13(17(14)20)18(24)23-10-9-16(15(21)11-23)22-12-5-2-1-3-6-12/h1-8,22H,9-11,21H2.
What are the key properties of (5-amino-4-anilino-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dichlorophenyl)methanone?
(5-amino-4-anilino-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dichlorophenyl)methanone has a molecular weight of 362.26 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-4-anilino-3,6-dihydro-2H-pyridin-1-yl)-(2,3-dichlorophenyl)methanone is sourced from PubChem (CID 129153045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).