[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3Z)-3-ethylidenepiperidin-1-yl]methanone

C19H21ClN4O — CID 66869605

IUPAC[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3Z)-3-ethylidenepiperidin-1-yl]methanone
SMILESC/C=C1/CCCN(C(=O)c2cnc(Nc3ccc(C)nc3)c(Cl)c2)C1
InChIInChI=1S/C19H21ClN4O/c1-3-14-5-4-8-24(12-14)19(25)15-9-17(20)18(22-10-15)23-16-7-6-13(2)21-11-16/h3,6-7,9-11H,4-5,8,12H2,1-2H3,(H,22,23)/b14-3-
InChIKeyDFEKWACAOYHWTB-BNNQUZSASA-N
MW356.86 g/mol
LogP4.36
Rot. Bonds3

About [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3Z)-3-ethylidenepiperidin-1-yl]methanone

[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3Z)-3-ethylidenepiperidin-1-yl]methanone (PubChem CID 66869605) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3Z)-3-ethylidenepiperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3Z)-3-ethylidenepiperidin-1-yl]methanone
PubChem CID66869605
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3Z)-3-ethylidenepiperidin-1-yl]methanone
SMILESC/C=C1/CCCN(C(=O)c2cnc(Nc3ccc(C)nc3)c(Cl)c2)C1
InChIInChI=1S/C19H21ClN4O/c1-3-14-5-4-8-24(12-14)19(25)15-9-17(20)18(22-10-15)23-16-7-6-13(2)21-11-16/h3,6-7,9-11H,4-5,8,12H2,1-2H3,(H,22,23)/b14-3-
InChIKeyDFEKWACAOYHWTB-BNNQUZSASA-N
XLogP4.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3Z)-3-ethylidenepiperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3Z)-3-propylidenepiperidin-1-yl]methanone
CID 66869201
[5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56584592
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 23725699
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2S)-2-propylpiperidin-1-yl]methanone
CID 23725813
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-propan-2-ylpiperidin-1-yl)methanone
CID 23725759
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2R)-2-propan-2-ylpiperidin-1-yl]methanone
CID 23725760
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(2S)-2-propan-2-ylpiperidin-1-yl]methanone
CID 23725808
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 23725866
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 66869206
2-azabicyclo[2.2.1]heptan-2-yl-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methanone
CID 23725488
[5-chloro-6-[(2-methylpyrimidin-5-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 23725491
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-(2-methyl-6-propylpiperidin-1-yl)methanone
CID 23725919

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3Z)-3-ethylidenepiperidin-1-yl]methanone?
The IUPAC name of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3Z)-3-ethylidenepiperidin-1-yl]methanone (CID 66869605) is [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3Z)-3-ethylidenepiperidin-1-yl]methanone.
What is the SMILES notation for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3Z)-3-ethylidenepiperidin-1-yl]methanone?
The canonical SMILES for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3Z)-3-ethylidenepiperidin-1-yl]methanone is C/C=C1/CCCN(C(=O)c2cnc(Nc3ccc(C)nc3)c(Cl)c2)C1.
What is the InChIKey of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3Z)-3-ethylidenepiperidin-1-yl]methanone?
The InChIKey is DFEKWACAOYHWTB-BNNQUZSASA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-3-14-5-4-8-24(12-14)19(25)15-9-17(20)18(22-10-15)23-16-7-6-13(2)21-11-16/h3,6-7,9-11H,4-5,8,12H2,1-2H3,(H,22,23)/b14-3-.
What are the key properties of [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3Z)-3-ethylidenepiperidin-1-yl]methanone?
[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3Z)-3-ethylidenepiperidin-1-yl]methanone has a molecular weight of 356.86 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]-[(3Z)-3-ethylidenepiperidin-1-yl]methanone is sourced from PubChem (CID 66869605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).