(2-amino-5-chloro-3-pyridinyl)-(cyclohepten-1-yl)methanone

C13H15ClN2O — CID 103450525

IUPAC(2-amino-5-chloro-3-pyridinyl)-(cyclohepten-1-yl)methanone
SMILESNc1ncc(Cl)cc1C(=O)C1=CCCCCC1
InChIInChI=1S/C13H15ClN2O/c14-10-7-11(13(15)16-8-10)12(17)9-5-3-1-2-4-6-9/h5,7-8H,1-4,6H2,(H2,15,16)
InChIKeyXGAMNWUDMZRYPC-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.39
Rot. Bonds2

About (2-amino-5-chloro-3-pyridinyl)-(cyclohepten-1-yl)methanone

(2-amino-5-chloro-3-pyridinyl)-(cyclohepten-1-yl)methanone (PubChem CID 103450525) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is (2-amino-5-chloro-3-pyridinyl)-(cyclohepten-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-chloro-3-pyridinyl)-(cyclohepten-1-yl)methanone
PubChem CID103450525
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name(2-amino-5-chloro-3-pyridinyl)-(cyclohepten-1-yl)methanone
SMILESNc1ncc(Cl)cc1C(=O)C1=CCCCCC1
InChIInChI=1S/C13H15ClN2O/c14-10-7-11(13(15)16-8-10)12(17)9-5-3-1-2-4-6-9/h5,7-8H,1-4,6H2,(H2,15,16)
InChIKeyXGAMNWUDMZRYPC-UHFFFAOYSA-N
XLogP3.39
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-amino-5-chloro-3-pyridinyl)-(cyclohepten-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-5-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone
CID 103450009
(2-amino-3-pyridinyl)-(cyclopenten-1-yl)methanone
CID 103448139
(5-amino-1-methylpyrazol-4-yl)-(cycloocten-1-yl)methanone
CID 106651903
(5-chloro-2-fluorophenyl)-(cyclopenten-1-yl)methanone
CID 62079364
(5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methanone
CID 62077963
(2-amino-5-chloro-3-pyridinyl)-piperidin-2-ylmethanone
CID 116547814
(2-amino-5-chloro-3-pyridinyl)-(3,4-dichlorophenyl)methanone
CID 81492506
1-(2-amino-5-chloro-3-pyridinyl)-2-chloro-2,2-difluoroethanone
CID 112574914
(2-amino-5-chloro-3-pyridinyl)-(4-methylpiperidin-4-yl)methanone
CID 116567605
cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone
CID 103450510
(2-amino-5-chloro-3-pyridinyl)-(1-ethoxycyclohexyl)methanone
CID 116748436
[2-amino-5-(trifluoromethyl)phenyl]-[(1E)-cycloocten-1-yl]methanone
CID 106652173

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(cyclohepten-1-yl)methanone?
The IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(cyclohepten-1-yl)methanone (CID 103450525) is (2-amino-5-chloro-3-pyridinyl)-(cyclohepten-1-yl)methanone.
What is the SMILES notation for (2-amino-5-chloro-3-pyridinyl)-(cyclohepten-1-yl)methanone?
The canonical SMILES for (2-amino-5-chloro-3-pyridinyl)-(cyclohepten-1-yl)methanone is Nc1ncc(Cl)cc1C(=O)C1=CCCCCC1.
What is the InChIKey of (2-amino-5-chloro-3-pyridinyl)-(cyclohepten-1-yl)methanone?
The InChIKey is XGAMNWUDMZRYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c14-10-7-11(13(15)16-8-10)12(17)9-5-3-1-2-4-6-9/h5,7-8H,1-4,6H2,(H2,15,16).
What are the key properties of (2-amino-5-chloro-3-pyridinyl)-(cyclohepten-1-yl)methanone?
(2-amino-5-chloro-3-pyridinyl)-(cyclohepten-1-yl)methanone has a molecular weight of 250.73 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chloro-3-pyridinyl)-(cyclohepten-1-yl)methanone is sourced from PubChem (CID 103450525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).