(5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone

C13H19ClN4O — CID 55247680

IUPAC(5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cnc(NN)c(Cl)c2)CC1
InChIInChI=1S/C13H19ClN4O/c1-9-3-2-5-18(6-4-9)13(19)10-7-11(14)12(17-15)16-8-10/h7-9H,2-6,15H2,1H3,(H,16,17)
InChIKeyXEQJWJHWJYWZHM-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.28
Rot. Bonds2

About (5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone

(5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone (PubChem CID 55247680) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is (5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone
PubChem CID55247680
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name(5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cnc(NN)c(Cl)c2)CC1
InChIInChI=1S/C13H19ClN4O/c1-9-3-2-5-18(6-4-9)13(19)10-7-11(14)12(17-15)16-8-10/h7-9H,2-6,15H2,1H3,(H,16,17)
InChIKeyXEQJWJHWJYWZHM-UHFFFAOYSA-N
XLogP2.28
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-6-hydrazinyl-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62233957
[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172223
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(5-chloro-6-hydrazinyl-3-pyridinyl)methanone
CID 62236710
(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62890279
[5-chloro-6-[(2-methylpyrimidin-5-yl)amino]-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 23725491
(6-chloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55209897
[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270710
(3-amino-4,5-dichlorophenyl)-(4-methylazepan-1-yl)methanone
CID 63622744
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102789360
[5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62181222

Frequently Asked Questions

What is the IUPAC name of (5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone?
The IUPAC name of (5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone (CID 55247680) is (5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone.
What is the SMILES notation for (5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone?
The canonical SMILES for (5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone is CC1CCCN(C(=O)c2cnc(NN)c(Cl)c2)CC1.
What is the InChIKey of (5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone?
The InChIKey is XEQJWJHWJYWZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-9-3-2-5-18(6-4-9)13(19)10-7-11(14)12(17-15)16-8-10/h7-9H,2-6,15H2,1H3,(H,16,17).
What are the key properties of (5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone?
(5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone has a molecular weight of 282.77 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone is sourced from PubChem (CID 55247680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).