(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone

C13H20ClN5O — CID 62890279

IUPAC(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
SMILESCN(C)CC1CCCN1C(=O)c1cnc(NN)c(Cl)c1
InChIInChI=1S/C13H20ClN5O/c1-18(2)8-10-4-3-5-19(10)13(20)9-6-11(14)12(17-15)16-7-9/h6-7,10H,3-5,8,15H2,1-2H3,(H,16,17)
InChIKeyMQJAVSFQBHIRKU-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.19
Rot. Bonds4

About (5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone

(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone (PubChem CID 62890279) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is (5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
PubChem CID62890279
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC Name(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
SMILESCN(C)CC1CCCN1C(=O)c1cnc(NN)c(Cl)c1
InChIInChI=1S/C13H20ClN5O/c1-18(2)8-10-4-3-5-19(10)13(20)9-6-11(14)12(17-15)16-7-9/h6-7,10H,3-5,8,15H2,1-2H3,(H,16,17)
InChIKeyMQJAVSFQBHIRKU-UHFFFAOYSA-N
XLogP1.19
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methylazepan-1-yl)methanone
CID 55247680
[5-chloro-6-(propylamino)-3-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 62187046
[5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62181222
(5-chloro-6-hydrazinyl-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62233957
(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102789360
[5-chloro-6-(methylamino)-3-pyridinyl]-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66052597
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(5-chloro-6-hydrazinyl-3-pyridinyl)methanone
CID 62236710
6-[2-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbothioamide
CID 63747788
(3,5-dihydroxyphenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 107703913
5-chloro-N-(cyclobutylmethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide
CID 62854972
(5-amino-2-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 81316793
[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 95591150

Frequently Asked Questions

What is the IUPAC name of (5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone (CID 62890279) is (5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone is CN(C)CC1CCCN1C(=O)c1cnc(NN)c(Cl)c1.
What is the InChIKey of (5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is MQJAVSFQBHIRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O/c1-18(2)8-10-4-3-5-19(10)13(20)9-6-11(14)12(17-15)16-7-9/h6-7,10H,3-5,8,15H2,1-2H3,(H,16,17).
What are the key properties of (5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 297.79 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 62890279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).