2-[(5-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid

C11H15N3O4 — CID 66278043

IUPAC2-[(5-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid
SMILESCCCC(Nc1ncc(C)cc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C11H15N3O4/c1-3-4-8(11(15)16)13-10-9(14(17)18)5-7(2)6-12-10/h5-6,8H,3-4H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyRSZLVLWHJTVPKI-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.96
Rot. Bonds6

About 2-[(5-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid

2-[(5-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid (PubChem CID 66278043) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[(5-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid
PubChem CID66278043
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[(5-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid
SMILESCCCC(Nc1ncc(C)cc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C11H15N3O4/c1-3-4-8(11(15)16)13-10-9(14(17)18)5-7(2)6-12-10/h5-6,8H,3-4H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyRSZLVLWHJTVPKI-UHFFFAOYSA-N
XLogP1.96
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.96
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

(2S)-3-methyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]butanoic acid
CID 120964347
5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine
CID 66278295
(2S)-2-[(3,5-dinitro-2-pyridinyl)amino]butanedioic acid
CID 22213334
2-[(4-methyl-5-nitro-2-pyridinyl)amino]hexanoic acid
CID 79173918
4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol
CID 66281150
5-methyl-3-nitro-N-(1-phenylpropan-2-yl)pyridin-2-amine
CID 66279610
(2S)-2-[(3-bromo-5-nitro-2-pyridinyl)amino]hexanoic acid
CID 122062843
5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
CID 107269289
2-(5-fluoro-2-nitroanilino)pentanoic acid
CID 62373870
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 65439508
N-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66280695
N-(1-cyclopropylpropan-2-yl)-5-methyl-3-nitropyridin-2-amine
CID 66278519

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid?
The IUPAC name of 2-[(5-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid (CID 66278043) is 2-[(5-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(5-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid?
The canonical SMILES for 2-[(5-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid is CCCC(Nc1ncc(C)cc1[N+](=O)[O-])C(=O)O.
What is the InChIKey of 2-[(5-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid?
The InChIKey is RSZLVLWHJTVPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-4-8(11(15)16)13-10-9(14(17)18)5-7(2)6-12-10/h5-6,8H,3-4H2,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 2-[(5-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid?
2-[(5-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid has a molecular weight of 253.26 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid is sourced from PubChem (CID 66278043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).