4-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid

C11H15N3O4 — CID 79174122

IUPAC4-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid
SMILESCc1cc(NC(C)CCC(=O)O)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4/c1-7-5-10(12-6-9(7)14(17)18)13-8(2)3-4-11(15)16/h5-6,8H,3-4H2,1-2H3,(H,12,13)(H,15,16)
InChIKeySEQFUICUXWZPGB-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.96
Rot. Bonds6

About 4-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid

4-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid (PubChem CID 79174122) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid
PubChem CID79174122
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid
SMILESCc1cc(NC(C)CCC(=O)O)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4/c1-7-5-10(12-6-9(7)14(17)18)13-8(2)3-4-11(15)16/h5-6,8H,3-4H2,1-2H3,(H,12,13)(H,15,16)
InChIKeySEQFUICUXWZPGB-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)-4-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid
CID 120964560
2-[(4-methyl-5-nitro-2-pyridinyl)amino]hexanoic acid
CID 79173918
N,3-dimethyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]butanamide
CID 133388185
4-methyl-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 79176131
4-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 79173544
2-cyclopropyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetic acid
CID 79173611
5-methyl-3-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]hexanoic acid
CID 79165012
2-[2-[(4-methyl-5-nitro-2-pyridinyl)amino]ethoxy]acetic acid
CID 79457851
1-N,1-N,4-trimethyl-2-N-(4-methyl-5-nitro-2-pyridinyl)pentane-1,2-diamine
CID 79173449
4-methyl-N-(2-methylbutyl)-5-nitropyridin-2-amine
CID 79176219
4-[(4-methyl-5-nitro-2-pyridinyl)-propan-2-ylamino]butanoic acid
CID 79173307
2-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-(2-methylpiperidin-1-yl)propan-1-one
CID 133343540

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid?
The IUPAC name of 4-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid (CID 79174122) is 4-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid?
The canonical SMILES for 4-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid is Cc1cc(NC(C)CCC(=O)O)ncc1[N+](=O)[O-].
What is the InChIKey of 4-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid?
The InChIKey is SEQFUICUXWZPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7-5-10(12-6-9(7)14(17)18)13-8(2)3-4-11(15)16/h5-6,8H,3-4H2,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 4-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid?
4-[(4-methyl-5-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 4-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid is sourced from PubChem (CID 79174122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).