(2-hydrazinyl-6-methyl-4-pyridinyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone

C13H20N4O2 — CID 114799971

IUPAC(2-hydrazinyl-6-methyl-4-pyridinyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(CCO)C2)cc(NN)n1
InChIInChI=1S/C13H20N4O2/c1-9-6-11(7-12(15-9)16-14)13(19)17-4-2-10(8-17)3-5-18/h6-7,10,18H,2-5,8,14H2,1H3,(H,15,16)
InChIKeyBABBEMVDBJEAPD-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.52
Rot. Bonds4

About (2-hydrazinyl-6-methyl-4-pyridinyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone

(2-hydrazinyl-6-methyl-4-pyridinyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 114799971) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (2-hydrazinyl-6-methyl-4-pyridinyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydrazinyl-6-methyl-4-pyridinyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID114799971
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(2-hydrazinyl-6-methyl-4-pyridinyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(CCO)C2)cc(NN)n1
InChIInChI=1S/C13H20N4O2/c1-9-6-11(7-12(15-9)16-14)13(19)17-4-2-10(8-17)3-5-18/h6-7,10,18H,2-5,8,14H2,1H3,(H,15,16)
InChIKeyBABBEMVDBJEAPD-UHFFFAOYSA-N
XLogP0.52
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.52
H-Bond Donors ≤ 53
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

(3-ethoxypiperidin-1-yl)-(2-hydrazinyl-6-methyl-4-pyridinyl)methanone
CID 113379218
[2-ethyl-6-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114799911
(2-hydrazinyl-6-methyl-4-pyridinyl)-morpholin-4-ylmethanone
CID 70843948
(2-amino-6-propan-2-yl-4-pyridinyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114799910
(4-amino-3,5-dichlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115869589
(3,6-dimethylpyridazin-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115877445
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 113268934
[2-(ethylamino)-6-methyl-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681687
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 115746358
6-hydroxy-4-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 114799248
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 115746621
(3-hydroxy-4-methylpiperidin-1-yl)-[2-methyl-6-(propylamino)-4-pyridinyl]methanone
CID 102964734

Frequently Asked Questions

What is the IUPAC name of (2-hydrazinyl-6-methyl-4-pyridinyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-hydrazinyl-6-methyl-4-pyridinyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 114799971) is (2-hydrazinyl-6-methyl-4-pyridinyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-hydrazinyl-6-methyl-4-pyridinyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-hydrazinyl-6-methyl-4-pyridinyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone is Cc1cc(C(=O)N2CCC(CCO)C2)cc(NN)n1.
What is the InChIKey of (2-hydrazinyl-6-methyl-4-pyridinyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is BABBEMVDBJEAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-6-11(7-12(15-9)16-14)13(19)17-4-2-10(8-17)3-5-18/h6-7,10,18H,2-5,8,14H2,1H3,(H,15,16).
What are the key properties of (2-hydrazinyl-6-methyl-4-pyridinyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
(2-hydrazinyl-6-methyl-4-pyridinyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 264.33 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydrazinyl-6-methyl-4-pyridinyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 114799971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).