3-[(6-cyano-5-nitro-2-pyridinyl)amino]-2-hydroxypropanamide

C9H9N5O4 — CID 106170824

IUPAC3-[(6-cyano-5-nitro-2-pyridinyl)amino]-2-hydroxypropanamide
SMILESN#Cc1nc(NCC(O)C(N)=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H9N5O4/c10-3-5-6(14(17)18)1-2-8(13-5)12-4-7(15)9(11)16/h1-2,7,15H,4H2,(H2,11,16)(H,12,13)
InChIKeyGHZATZKBCAMAFZ-UHFFFAOYSA-N
MW251.20 g/mol
LogP-0.88
Rot. Bonds5

About 3-[(6-cyano-5-nitro-2-pyridinyl)amino]-2-hydroxypropanamide

3-[(6-cyano-5-nitro-2-pyridinyl)amino]-2-hydroxypropanamide (PubChem CID 106170824) has the molecular formula C9H9N5O4 and a molecular weight of 251.20 g/mol. Its IUPAC name is 3-[(6-cyano-5-nitro-2-pyridinyl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(6-cyano-5-nitro-2-pyridinyl)amino]-2-hydroxypropanamide
PubChem CID106170824
Molecular FormulaC9H9N5O4
Molecular Weight251.20 g/mol
Exact Mass251.07
IUPAC Name3-[(6-cyano-5-nitro-2-pyridinyl)amino]-2-hydroxypropanamide
SMILESN#Cc1nc(NCC(O)C(N)=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H9N5O4/c10-3-5-6(14(17)18)1-2-8(13-5)12-4-7(15)9(11)16/h1-2,7,15H,4H2,(H2,11,16)(H,12,13)
InChIKeyGHZATZKBCAMAFZ-UHFFFAOYSA-N
XLogP-0.88
TPSA155.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 5-0.88
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

3-[(6-chloro-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106178690
6-[(4-aminophenyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103472658
6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-3-nitropyridine-2-carbonitrile
CID 103578070
6-[(1-hydroxycyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471774
6-[(2-amino-2-ethylbutyl)amino]-3-nitropyridine-2-carbonitrile
CID 103472571
2-[(6-cyano-5-nitro-2-pyridinyl)amino]-N-propylacetamide
CID 103471269
3-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106170893
6-(3,3-dimethylbutan-2-ylamino)-3-nitropyridine-2-carbonitrile
CID 103472001
3-(3-amino-4-nitroanilino)-2-hydroxypropanamide
CID 106174439
3-(2,3-difluoro-6-nitroanilino)-2-hydroxypropanamide
CID 114153466
6-[[1-(hydroxymethyl)cyclobutyl]amino]-3-nitropyridine-2-carbonitrile
CID 103472094
6-[3-(2-methylpropoxy)propylamino]-3-nitropyridine-2-carbonitrile
CID 103577984

Frequently Asked Questions

What is the IUPAC name of 3-[(6-cyano-5-nitro-2-pyridinyl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(6-cyano-5-nitro-2-pyridinyl)amino]-2-hydroxypropanamide (CID 106170824) is 3-[(6-cyano-5-nitro-2-pyridinyl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(6-cyano-5-nitro-2-pyridinyl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(6-cyano-5-nitro-2-pyridinyl)amino]-2-hydroxypropanamide is N#Cc1nc(NCC(O)C(N)=O)ccc1[N+](=O)[O-].
What is the InChIKey of 3-[(6-cyano-5-nitro-2-pyridinyl)amino]-2-hydroxypropanamide?
The InChIKey is GHZATZKBCAMAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O4/c10-3-5-6(14(17)18)1-2-8(13-5)12-4-7(15)9(11)16/h1-2,7,15H,4H2,(H2,11,16)(H,12,13).
What are the key properties of 3-[(6-cyano-5-nitro-2-pyridinyl)amino]-2-hydroxypropanamide?
3-[(6-cyano-5-nitro-2-pyridinyl)amino]-2-hydroxypropanamide has a molecular weight of 251.20 g/mol, XLogP of -0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-cyano-5-nitro-2-pyridinyl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 106170824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).