2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide

C11H15N5O4 — CID 115324274

IUPAC2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cnc1NCC1CNCCO1
InChIInChI=1S/C11H15N5O4/c12-10(17)9-3-7(16(18)19)4-14-11(9)15-6-8-5-13-1-2-20-8/h3-4,8,13H,1-2,5-6H2,(H2,12,17)(H,14,15)
InChIKeyMUPJYHDKXSDQEH-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.51
Rot. Bonds5

About 2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide

2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide (PubChem CID 115324274) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide
PubChem CID115324274
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cnc1NCC1CNCCO1
InChIInChI=1S/C11H15N5O4/c12-10(17)9-3-7(16(18)19)4-14-11(9)15-6-8-5-13-1-2-20-8/h3-4,8,13H,1-2,5-6H2,(H2,12,17)(H,14,15)
InChIKeyMUPJYHDKXSDQEH-UHFFFAOYSA-N
XLogP-0.51
TPSA132.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
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

N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
CID 115324200
3-(morpholin-2-ylmethylamino)-4-nitrobenzamide
CID 82995436
N-(morpholin-2-ylmethyl)-6-nitroquinazolin-4-amine
CID 115324125
N-(morpholin-2-ylmethyl)-6-nitropyridin-3-amine
CID 115324252
4-methyl-N-(morpholin-2-ylmethyl)-5-nitropyridin-2-amine
CID 115324081
4,6-dimethyl-2-(morpholin-2-ylmethylamino)pyridine-3-carboxamide
CID 115324061
2,3-dichloro-N-(morpholin-2-ylmethyl)-5-nitrobenzamide
CID 107192102
2-methyl-4-(morpholin-2-ylmethylamino)benzamide
CID 113287167
4-(morpholin-2-ylmethylamino)quinoline-3-carboxamide
CID 115324262
2-[(2-cyclopropyloxan-4-yl)amino]-5-nitropyridine-3-carboxamide
CID 133473749
N-(morpholin-2-ylmethyl)-5-nitro-2-(trifluoromethyl)pyridin-4-amine
CID 106749975
5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 55100789

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide (CID 115324274) is 2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide is NC(=O)c1cc([N+](=O)[O-])cnc1NCC1CNCCO1.
What is the InChIKey of 2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide?
The InChIKey is MUPJYHDKXSDQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4/c12-10(17)9-3-7(16(18)19)4-14-11(9)15-6-8-5-13-1-2-20-8/h3-4,8,13H,1-2,5-6H2,(H2,12,17)(H,14,15).
What are the key properties of 2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide?
2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide has a molecular weight of 281.27 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 115324274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).