2-[(2-cyclopropyloxan-4-yl)amino]-5-nitropyridine-3-carboxamide

C14H18N4O4 — CID 133473749

IUPAC2-[(2-cyclopropyloxan-4-yl)amino]-5-nitropyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cnc1NC1CCOC(C2CC2)C1
InChIInChI=1S/C14H18N4O4/c15-13(19)11-6-10(18(20)21)7-16-14(11)17-9-3-4-22-12(5-9)8-1-2-8/h6-9,12H,1-5H2,(H2,15,19)(H,16,17)
InChIKeyXWVSSRRSNWLKMZ-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.46
Rot. Bonds5

About 2-[(2-cyclopropyloxan-4-yl)amino]-5-nitropyridine-3-carboxamide

2-[(2-cyclopropyloxan-4-yl)amino]-5-nitropyridine-3-carboxamide (PubChem CID 133473749) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[(2-cyclopropyloxan-4-yl)amino]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-cyclopropyloxan-4-yl)amino]-5-nitropyridine-3-carboxamide
PubChem CID133473749
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name2-[(2-cyclopropyloxan-4-yl)amino]-5-nitropyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cnc1NC1CCOC(C2CC2)C1
InChIInChI=1S/C14H18N4O4/c15-13(19)11-6-10(18(20)21)7-16-14(11)17-9-3-4-22-12(5-9)8-1-2-8/h6-9,12H,1-5H2,(H2,15,19)(H,16,17)
InChIKeyXWVSSRRSNWLKMZ-UHFFFAOYSA-N
XLogP1.46
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
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

N-(2-cyclopropyloxan-4-yl)-3-methyl-5-nitropyridin-2-amine
CID 133473587
5-nitro-2-(3-tricyclo[3.2.1.02,4]octanylamino)pyridine-3-carboxamide
CID 133365583
5-nitro-2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide
CID 133377744
5-nitro-2-[(2-propylcyclopropyl)amino]pyridine-3-carboxamide
CID 133327481
2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide
CID 115324274
2-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-5-nitropyridine-3-carboxamide
CID 71910094
N-(2-cyclopropyloxan-4-yl)-6-nitroquinolin-2-amine
CID 133473708
2-[[2-(4-fluorophenyl)cyclopentyl]amino]-5-nitropyridine-3-carboxamide
CID 133353695
2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide
CID 133411822
5-nitro-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyridine-3-carboxamide
CID 47054080
N-(2-cyclopropyloxan-4-yl)-2-methyl-6-nitroquinolin-4-amine
CID 133473539
2-cyclopropyl-N-(4-iodo-2-nitrophenyl)oxan-4-amine
CID 133473641

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyloxan-4-yl)amino]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-[(2-cyclopropyloxan-4-yl)amino]-5-nitropyridine-3-carboxamide (CID 133473749) is 2-[(2-cyclopropyloxan-4-yl)amino]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-[(2-cyclopropyloxan-4-yl)amino]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-[(2-cyclopropyloxan-4-yl)amino]-5-nitropyridine-3-carboxamide is NC(=O)c1cc([N+](=O)[O-])cnc1NC1CCOC(C2CC2)C1.
What is the InChIKey of 2-[(2-cyclopropyloxan-4-yl)amino]-5-nitropyridine-3-carboxamide?
The InChIKey is XWVSSRRSNWLKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c15-13(19)11-6-10(18(20)21)7-16-14(11)17-9-3-4-22-12(5-9)8-1-2-8/h6-9,12H,1-5H2,(H2,15,19)(H,16,17).
What are the key properties of 2-[(2-cyclopropyloxan-4-yl)amino]-5-nitropyridine-3-carboxamide?
2-[(2-cyclopropyloxan-4-yl)amino]-5-nitropyridine-3-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyloxan-4-yl)amino]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 133473749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).