[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone

C13H21N5O2 — CID 81248664

IUPAC[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone
SMILESCN(C)CC1CC(O)CN1C(=O)c1cnccc1NN
InChIInChI=1S/C13H21N5O2/c1-17(2)7-9-5-10(19)8-18(9)13(20)11-6-15-4-3-12(11)16-14/h3-4,6,9-10,19H,5,7-8,14H2,1-2H3,(H,15,16)
InChIKeyTZLAPXXAMSVOCM-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.50
Rot. Bonds4

About [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone

[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone (PubChem CID 81248664) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone
PubChem CID81248664
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone
SMILESCN(C)CC1CC(O)CN1C(=O)c1cnccc1NN
InChIInChI=1S/C13H21N5O2/c1-17(2)7-9-5-10(19)8-18(9)13(20)11-6-15-4-3-12(11)16-14/h3-4,6,9-10,19H,5,7-8,14H2,1-2H3,(H,15,16)
InChIKeyTZLAPXXAMSVOCM-UHFFFAOYSA-N
XLogP-0.50
TPSA94.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-[4-(methylamino)-3-pyridinyl]methanone
CID 81245316
(3-chloro-4-pyridinyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66483191
5-[(dimethylamino)methyl]-1-[(4-hydrazinyl-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 66052921
(2-amino-3-fluoro-4-pyridinyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 105386757
(5-ethyl-2-methylmorpholin-4-yl)-(4-hydrazinyl-3-pyridinyl)methanone
CID 81256295
(2-amino-5-chloro-4-pyridinyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 114923950
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 66057048
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 66054860
4-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 81249131
(5-bromo-2-methylphenyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66056446
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 66053923
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(2-fluoro-5-sulfanylphenyl)methanone
CID 107031692

Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone?
The IUPAC name of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone (CID 81248664) is [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone.
What is the SMILES notation for [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone?
The canonical SMILES for [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone is CN(C)CC1CC(O)CN1C(=O)c1cnccc1NN.
What is the InChIKey of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone?
The InChIKey is TZLAPXXAMSVOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-17(2)7-9-5-10(19)8-18(9)13(20)11-6-15-4-3-12(11)16-14/h3-4,6,9-10,19H,5,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone?
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone has a molecular weight of 279.34 g/mol, XLogP of -0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(4-hydrazinyl-3-pyridinyl)methanone is sourced from PubChem (CID 81248664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).