4-[[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methyl]morpholine

C15H22N4O3 — CID 99714262

IUPAC4-[[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methyl]morpholine
SMILESCc1nc(N2CCC[C@@H]2CN2CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H22N4O3/c1-12-14(19(20)21)4-5-15(16-12)18-6-2-3-13(18)11-17-7-9-22-10-8-17/h4-5,13H,2-3,6-11H2,1H3/t13-/m1/s1
InChIKeyCVJUYEVWQKMEBS-CYBMUJFWSA-N
MW306.37 g/mol
LogP1.60
Rot. Bonds4

About 4-[[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methyl]morpholine

4-[[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methyl]morpholine (PubChem CID 99714262) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methyl]morpholine
PubChem CID99714262
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name4-[[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methyl]morpholine
SMILESCc1nc(N2CCC[C@@H]2CN2CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H22N4O3/c1-12-14(19(20)21)4-5-15(16-12)18-6-2-3-13(18)11-17-7-9-22-10-8-17/h4-5,13H,2-3,6-11H2,1H3/t13-/m1/s1
InChIKeyCVJUYEVWQKMEBS-CYBMUJFWSA-N
XLogP1.60
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[1-(3-methyl-4-nitrophenyl)pyrrolidin-2-yl]methyl]morpholine
CID 86801732
2-methyl-6-[2-(3-methylbutyl)pyrrolidin-1-yl]-3-nitropyridine
CID 133377010
4-[[(2S)-1-(8-nitroisoquinolin-5-yl)pyrrolidin-2-yl]methyl]morpholine
CID 99714310
4-[[1-(8-nitroisoquinolin-5-yl)pyrrolidin-2-yl]methyl]morpholine
CID 91661522
[1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methylurea
CID 75482703
N-[2-[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 125131310
[4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine
CID 103442243
4-(6-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxamide
CID 133452657
2-methyl-4-[(2S)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]-1,3-thiazole
CID 125138200
[3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 102787157
4-[[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]methyl]morpholine
CID 133309507
(1-methylimidazol-2-yl)-[4-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-nitrophenyl]methanone
CID 133310911

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methyl]morpholine (CID 99714262) is 4-[[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methyl]morpholine is Cc1nc(N2CCC[C@@H]2CN2CCOCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 4-[[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methyl]morpholine?
The InChIKey is CVJUYEVWQKMEBS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-12-14(19(20)21)4-5-15(16-12)18-6-2-3-13(18)11-17-7-9-22-10-8-17/h4-5,13H,2-3,6-11H2,1H3/t13-/m1/s1.
What are the key properties of 4-[[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methyl]morpholine?
4-[[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methyl]morpholine has a molecular weight of 306.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methyl]morpholine is sourced from PubChem (CID 99714262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).