2,3-dimethyl-3-[[4-nitro-6-(propylamino)-2-pyridinyl]amino]butan-2-ol

C14H24N4O3 — CID 106198537

IUPAC2,3-dimethyl-3-[[4-nitro-6-(propylamino)-2-pyridinyl]amino]butan-2-ol
SMILESCCCNc1cc([N+](=O)[O-])cc(NC(C)(C)C(C)(C)O)n1
InChIInChI=1S/C14H24N4O3/c1-6-7-15-11-8-10(18(20)21)9-12(16-11)17-13(2,3)14(4,5)19/h8-9,19H,6-7H2,1-5H3,(H2,15,16,17)
InChIKeyHDVCSFTWUIGVNB-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.77
Rot. Bonds7

About 2,3-dimethyl-3-[[4-nitro-6-(propylamino)-2-pyridinyl]amino]butan-2-ol

2,3-dimethyl-3-[[4-nitro-6-(propylamino)-2-pyridinyl]amino]butan-2-ol (PubChem CID 106198537) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2,3-dimethyl-3-[[4-nitro-6-(propylamino)-2-pyridinyl]amino]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-[[4-nitro-6-(propylamino)-2-pyridinyl]amino]butan-2-ol
PubChem CID106198537
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name2,3-dimethyl-3-[[4-nitro-6-(propylamino)-2-pyridinyl]amino]butan-2-ol
SMILESCCCNc1cc([N+](=O)[O-])cc(NC(C)(C)C(C)(C)O)n1
InChIInChI=1S/C14H24N4O3/c1-6-7-15-11-8-10(18(20)21)9-12(16-11)17-13(2,3)14(4,5)19/h8-9,19H,6-7H2,1-5H3,(H2,15,16,17)
InChIKeyHDVCSFTWUIGVNB-UHFFFAOYSA-N
XLogP2.77
TPSA100.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.77
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

6-N-(3-methylpentan-3-yl)-4-nitro-2-N-propylpyridine-2,6-diamine
CID 106332099
3-[(6-chloro-4-nitro-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
CID 114156345
6-N-methyl-4-nitro-2-N,6-N-dipropylpyridine-2,6-diamine
CID 114071065
6-N-(2,2-dimethylpropyl)-2-N-ethyl-4-nitropyridine-2,6-diamine
CID 114071107
2-N-ethyl-6-N-(3-methylbutyl)-4-nitropyridine-2,6-diamine
CID 114071050
2,3-dimethyl-3-[[5-nitro-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 106198498
3-[(6-chloro-4-nitro-2-pyridinyl)amino]-N-propylpropanamide
CID 113345985
6-(2-cyclobutylethoxy)-4-nitro-N-propylpyridin-2-amine
CID 106207668
2-N-ethyl-6-N-(3-methoxypropyl)-4-nitropyridine-2,6-diamine
CID 114071057
2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine
CID 114071266
N-ethyl-2-[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]ethanesulfonamide
CID 106343389
3-N-(2-methylbutan-2-yl)-5-nitro-1-N-propylbenzene-1,3-diamine
CID 80768062

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-[[4-nitro-6-(propylamino)-2-pyridinyl]amino]butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-[[4-nitro-6-(propylamino)-2-pyridinyl]amino]butan-2-ol (CID 106198537) is 2,3-dimethyl-3-[[4-nitro-6-(propylamino)-2-pyridinyl]amino]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-[[4-nitro-6-(propylamino)-2-pyridinyl]amino]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-[[4-nitro-6-(propylamino)-2-pyridinyl]amino]butan-2-ol is CCCNc1cc([N+](=O)[O-])cc(NC(C)(C)C(C)(C)O)n1.
What is the InChIKey of 2,3-dimethyl-3-[[4-nitro-6-(propylamino)-2-pyridinyl]amino]butan-2-ol?
The InChIKey is HDVCSFTWUIGVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-6-7-15-11-8-10(18(20)21)9-12(16-11)17-13(2,3)14(4,5)19/h8-9,19H,6-7H2,1-5H3,(H2,15,16,17).
What are the key properties of 2,3-dimethyl-3-[[4-nitro-6-(propylamino)-2-pyridinyl]amino]butan-2-ol?
2,3-dimethyl-3-[[4-nitro-6-(propylamino)-2-pyridinyl]amino]butan-2-ol has a molecular weight of 296.37 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-[[4-nitro-6-(propylamino)-2-pyridinyl]amino]butan-2-ol is sourced from PubChem (CID 106198537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).