3-nitro-4-(pentylamino)-1H-pyridin-2-one

C10H15N3O3 — CID 127266767

IUPAC3-nitro-4-(pentylamino)-1H-pyridin-2-one
SMILESCCCCCNc1cc[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O3/c1-2-3-4-6-11-8-5-7-12-10(14)9(8)13(15)16/h5,7H,2-4,6H2,1H3,(H2,11,12,14)
InChIKeyDNNQNLJVPPLNBP-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.89
Rot. Bonds6

About 3-nitro-4-(pentylamino)-1H-pyridin-2-one

3-nitro-4-(pentylamino)-1H-pyridin-2-one (PubChem CID 127266767) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-nitro-4-(pentylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-nitro-4-(pentylamino)-1H-pyridin-2-one
PubChem CID127266767
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-nitro-4-(pentylamino)-1H-pyridin-2-one
SMILESCCCCCNc1cc[nH]c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O3/c1-2-3-4-6-11-8-5-7-12-10(14)9(8)13(15)16/h5,7H,2-4,6H2,1H3,(H2,11,12,14)
InChIKeyDNNQNLJVPPLNBP-UHFFFAOYSA-N
XLogP1.89
TPSA88.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N,6-N-dibutyl-1,5-dinitronaphthalene-2,6-diamine
CID 25215086
3,5-difluoro-2-nitro-N-pentylaniline
CID 113325497
3-(benzenesulfonyl)-2-nitro-N-pentylaniline
CID 68853978
5-methyl-2-nitro-N-octylaniline
CID 115568902
2-nitro-1-N,3-N-dipropylbenzene-1,3-diamine
CID 80765798
5-nitro-4-N,6-N-dipentylpyrimidine-4,6-diamine
CID 4072396
4-ethoxy-3-nitro-1H-pyridin-2-one
CID 167456607
N-heptyl-2-methyl-5-nitroaniline
CID 43718518
2-methyl-5-nitro-N-octylaniline
CID 43718449
2-nitro-N-pentyl-3-(propylamino)benzamide
CID 115548094
N,N'-bis(2,3,4-trinitrophenyl)pentane-1,5-diamine
CID 23496475
5-[5-chloro-3-(hexylamino)-2-nitroanilino]pentan-1-ol
CID 159653172

Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-(pentylamino)-1H-pyridin-2-one?
The IUPAC name of 3-nitro-4-(pentylamino)-1H-pyridin-2-one (CID 127266767) is 3-nitro-4-(pentylamino)-1H-pyridin-2-one.
What is the SMILES notation for 3-nitro-4-(pentylamino)-1H-pyridin-2-one?
The canonical SMILES for 3-nitro-4-(pentylamino)-1H-pyridin-2-one is CCCCCNc1cc[nH]c(=O)c1[N+](=O)[O-].
What is the InChIKey of 3-nitro-4-(pentylamino)-1H-pyridin-2-one?
The InChIKey is DNNQNLJVPPLNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-3-4-6-11-8-5-7-12-10(14)9(8)13(15)16/h5,7H,2-4,6H2,1H3,(H2,11,12,14).
What are the key properties of 3-nitro-4-(pentylamino)-1H-pyridin-2-one?
3-nitro-4-(pentylamino)-1H-pyridin-2-one has a molecular weight of 225.25 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-(pentylamino)-1H-pyridin-2-one is sourced from PubChem (CID 127266767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).