5-[[[3-nitro-6-(propylamino)-2-pyridinyl]amino]methyl]pyrrolidin-2-one

C13H19N5O3 — CID 80823724

IUPAC5-[[[3-nitro-6-(propylamino)-2-pyridinyl]amino]methyl]pyrrolidin-2-one
SMILESCCCNc1ccc([N+](=O)[O-])c(NCC2CCC(=O)N2)n1
InChIInChI=1S/C13H19N5O3/c1-2-7-14-11-5-4-10(18(20)21)13(17-11)15-8-9-3-6-12(19)16-9/h4-5,9H,2-3,6-8H2,1H3,(H,16,19)(H2,14,15,17)
InChIKeyDWRFUJCMPCYOPX-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.50
Rot. Bonds7

About 5-[[[3-nitro-6-(propylamino)-2-pyridinyl]amino]methyl]pyrrolidin-2-one

5-[[[3-nitro-6-(propylamino)-2-pyridinyl]amino]methyl]pyrrolidin-2-one (PubChem CID 80823724) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-[[[3-nitro-6-(propylamino)-2-pyridinyl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[[3-nitro-6-(propylamino)-2-pyridinyl]amino]methyl]pyrrolidin-2-one
PubChem CID80823724
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name5-[[[3-nitro-6-(propylamino)-2-pyridinyl]amino]methyl]pyrrolidin-2-one
SMILESCCCNc1ccc([N+](=O)[O-])c(NCC2CCC(=O)N2)n1
InChIInChI=1S/C13H19N5O3/c1-2-7-14-11-5-4-10(18(20)21)13(17-11)15-8-9-3-6-12(19)16-9/h4-5,9H,2-3,6-8H2,1H3,(H,16,19)(H2,14,15,17)
InChIKeyDWRFUJCMPCYOPX-UHFFFAOYSA-N
XLogP1.50
TPSA109.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.50
H-Bond Donors ≤ 53
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

2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771612
2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide
CID 80788349
2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol
CID 80841652
2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771809
2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80783377
5-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80942891
5-[[(5-methyl-3-nitro-2-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 66279832
6-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-3-nitropyridine-2,6-diamine
CID 80790831
3-nitro-2-N-phenyl-6-N-propylpyridine-2,6-diamine
CID 80768548
2-N-(3-methylsulfonylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80790516
2-[3-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propoxy]ethanol
CID 106311526
2-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80803530

Frequently Asked Questions

What is the IUPAC name of 5-[[[3-nitro-6-(propylamino)-2-pyridinyl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[[3-nitro-6-(propylamino)-2-pyridinyl]amino]methyl]pyrrolidin-2-one (CID 80823724) is 5-[[[3-nitro-6-(propylamino)-2-pyridinyl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[[3-nitro-6-(propylamino)-2-pyridinyl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[[3-nitro-6-(propylamino)-2-pyridinyl]amino]methyl]pyrrolidin-2-one is CCCNc1ccc([N+](=O)[O-])c(NCC2CCC(=O)N2)n1.
What is the InChIKey of 5-[[[3-nitro-6-(propylamino)-2-pyridinyl]amino]methyl]pyrrolidin-2-one?
The InChIKey is DWRFUJCMPCYOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-2-7-14-11-5-4-10(18(20)21)13(17-11)15-8-9-3-6-12(19)16-9/h4-5,9H,2-3,6-8H2,1H3,(H,16,19)(H2,14,15,17).
What are the key properties of 5-[[[3-nitro-6-(propylamino)-2-pyridinyl]amino]methyl]pyrrolidin-2-one?
5-[[[3-nitro-6-(propylamino)-2-pyridinyl]amino]methyl]pyrrolidin-2-one has a molecular weight of 293.33 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[3-nitro-6-(propylamino)-2-pyridinyl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 80823724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).