6-(morpholin-3-ylmethylamino)-5-nitropyridine-3-carbonitrile

C11H13N5O3 — CID 103549150

IUPAC6-(morpholin-3-ylmethylamino)-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cnc(NCC2COCCN2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13N5O3/c12-4-8-3-10(16(17)18)11(14-5-8)15-6-9-7-19-2-1-13-9/h3,5,9,13H,1-2,6-7H2,(H,14,15)
InChIKeyPZSRYRRYDNRRAC-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.26
Rot. Bonds4

About 6-(morpholin-3-ylmethylamino)-5-nitropyridine-3-carbonitrile

6-(morpholin-3-ylmethylamino)-5-nitropyridine-3-carbonitrile (PubChem CID 103549150) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 6-(morpholin-3-ylmethylamino)-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(morpholin-3-ylmethylamino)-5-nitropyridine-3-carbonitrile
PubChem CID103549150
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name6-(morpholin-3-ylmethylamino)-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cnc(NCC2COCCN2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13N5O3/c12-4-8-3-10(16(17)18)11(14-5-8)15-6-9-7-19-2-1-13-9/h3,5,9,13H,1-2,6-7H2,(H,14,15)
InChIKeyPZSRYRRYDNRRAC-UHFFFAOYSA-N
XLogP0.26
TPSA113.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

6-(1,4-dioxan-2-ylmethylamino)-5-nitropyridine-3-carbonitrile
CID 103471345
5-nitro-6-(oxetan-2-ylmethylamino)pyridine-3-carbonitrile
CID 170428144
6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile
CID 103471221
4-(morpholin-3-ylmethylamino)-2-nitrobenzonitrile
CID 103549040
5-nitro-6-(thian-4-ylmethylamino)pyridine-3-carbonitrile
CID 103472056
3-(morpholin-3-ylmethylamino)-2-nitrobenzonitrile
CID 103549058
6-[(1-cyanocyclopropyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 170427998
3-methyl-N-(morpholin-3-ylmethyl)-4-nitroaniline
CID 103549104
5-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 66280499
5-bromo-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 62542196
6-hydrazinyl-5-nitropyridine-3-carbonitrile
CID 103470111
6-(3-cyclopentylpropylamino)-5-nitropyridine-3-carbonitrile
CID 106013027

Frequently Asked Questions

What is the IUPAC name of 6-(morpholin-3-ylmethylamino)-5-nitropyridine-3-carbonitrile?
The IUPAC name of 6-(morpholin-3-ylmethylamino)-5-nitropyridine-3-carbonitrile (CID 103549150) is 6-(morpholin-3-ylmethylamino)-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 6-(morpholin-3-ylmethylamino)-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 6-(morpholin-3-ylmethylamino)-5-nitropyridine-3-carbonitrile is N#Cc1cnc(NCC2COCCN2)c([N+](=O)[O-])c1.
What is the InChIKey of 6-(morpholin-3-ylmethylamino)-5-nitropyridine-3-carbonitrile?
The InChIKey is PZSRYRRYDNRRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c12-4-8-3-10(16(17)18)11(14-5-8)15-6-9-7-19-2-1-13-9/h3,5,9,13H,1-2,6-7H2,(H,14,15).
What are the key properties of 6-(morpholin-3-ylmethylamino)-5-nitropyridine-3-carbonitrile?
6-(morpholin-3-ylmethylamino)-5-nitropyridine-3-carbonitrile has a molecular weight of 263.26 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(morpholin-3-ylmethylamino)-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 103549150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).