5-nitro-2-(3-tricyclo[3.2.1.02,4]octanylamino)pyridine-3-carboxamide

C14H16N4O3 — CID 133365583

IUPAC5-nitro-2-(3-tricyclo[3.2.1.02,4]octanylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cnc1NC1C2C3CCC(C3)C12
InChIInChI=1S/C14H16N4O3/c15-13(19)9-4-8(18(20)21)5-16-14(9)17-12-10-6-1-2-7(3-6)11(10)12/h4-7,10-12H,1-3H2,(H2,15,19)(H,16,17)
InChIKeyCNVQFVBBGSCPGC-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.55
Rot. Bonds4

About 5-nitro-2-(3-tricyclo[3.2.1.02,4]octanylamino)pyridine-3-carboxamide

5-nitro-2-(3-tricyclo[3.2.1.02,4]octanylamino)pyridine-3-carboxamide (PubChem CID 133365583) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-nitro-2-(3-tricyclo[3.2.1.02,4]octanylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-nitro-2-(3-tricyclo[3.2.1.02,4]octanylamino)pyridine-3-carboxamide
PubChem CID133365583
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name5-nitro-2-(3-tricyclo[3.2.1.02,4]octanylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cnc1NC1C2C3CCC(C3)C12
InChIInChI=1S/C14H16N4O3/c15-13(19)9-4-8(18(20)21)5-16-14(9)17-12-10-6-1-2-7(3-6)11(10)12/h4-7,10-12H,1-3H2,(H2,15,19)(H,16,17)
InChIKeyCNVQFVBBGSCPGC-UHFFFAOYSA-N
XLogP1.55
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[(2-cyclopropyloxan-4-yl)amino]-5-nitropyridine-3-carboxamide
CID 133473749
5-nitro-2-[(2-propylcyclopropyl)amino]pyridine-3-carboxamide
CID 133327481
2-[(5,5-dimethyl-2-oxooxolan-3-yl)amino]-5-nitropyridine-3-carboxamide
CID 71910094
2-[[2-(4-fluorophenyl)cyclopentyl]amino]-5-nitropyridine-3-carboxamide
CID 133353695
5-nitro-2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-carboxamide
CID 133377744
5-chloro-3-nitro-N-(3-tricyclo[3.2.1.02,4]octanyl)pyridin-2-amine
CID 103821473
2-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-5-nitropyridine-3-carboxamide
CID 133411822
2-(morpholin-2-ylmethylamino)-5-nitropyridine-3-carboxamide
CID 115324274
5-nitro-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]pyridine-3-carboxamide
CID 47054080
5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 55100789
5-nitro-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide
CID 133486819
2-[2-(4-methylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carboxamide
CID 133287204

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-(3-tricyclo[3.2.1.02,4]octanylamino)pyridine-3-carboxamide?
The IUPAC name of 5-nitro-2-(3-tricyclo[3.2.1.02,4]octanylamino)pyridine-3-carboxamide (CID 133365583) is 5-nitro-2-(3-tricyclo[3.2.1.02,4]octanylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-nitro-2-(3-tricyclo[3.2.1.02,4]octanylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-nitro-2-(3-tricyclo[3.2.1.02,4]octanylamino)pyridine-3-carboxamide is NC(=O)c1cc([N+](=O)[O-])cnc1NC1C2C3CCC(C3)C12.
What is the InChIKey of 5-nitro-2-(3-tricyclo[3.2.1.02,4]octanylamino)pyridine-3-carboxamide?
The InChIKey is CNVQFVBBGSCPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c15-13(19)9-4-8(18(20)21)5-16-14(9)17-12-10-6-1-2-7(3-6)11(10)12/h4-7,10-12H,1-3H2,(H2,15,19)(H,16,17).
What are the key properties of 5-nitro-2-(3-tricyclo[3.2.1.02,4]octanylamino)pyridine-3-carboxamide?
5-nitro-2-(3-tricyclo[3.2.1.02,4]octanylamino)pyridine-3-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-(3-tricyclo[3.2.1.02,4]octanylamino)pyridine-3-carboxamide is sourced from PubChem (CID 133365583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).