3-(5-methyl-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine

C16H13N5O2 — CID 143908251

IUPAC3-(5-methyl-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine
SMILESCc1cnc(-c2cccnc2)cc1-c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C16H13N5O2/c1-10-7-19-15(11-3-2-4-18-8-11)6-13(10)14-5-12(21(22)23)9-20-16(14)17/h2-9H,1H3,(H2,17,20)
InChIKeyULHTYLWPWNKHNZ-UHFFFAOYSA-N
MW307.31 g/mol
LogP3.00
Rot. Bonds3

About 3-(5-methyl-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine

3-(5-methyl-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine (PubChem CID 143908251) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is 3-(5-methyl-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-(5-methyl-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine
PubChem CID143908251
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC Name3-(5-methyl-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine
SMILESCc1cnc(-c2cccnc2)cc1-c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C16H13N5O2/c1-10-7-19-15(11-3-2-4-18-8-11)6-13(10)14-5-12(21(22)23)9-20-16(14)17/h2-9H,1H3,(H2,17,20)
InChIKeyULHTYLWPWNKHNZ-UHFFFAOYSA-N
XLogP3.00
TPSA107.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
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

3-(4-methyl-6-nitro-1,8-naphthyridin-2-yl)-5-nitropyridin-2-amine
CID 44550526
3-(3-bromo-5-nitrophenyl)pyridine
CID 119089037
(2-methyl-5-nitrophenyl)-pyridin-3-ylmethanamine
CID 43825641
5-methyl-2-pyridin-3-ylpyridine-4-carbonyl chloride
CID 163503116
methyl 5-nitro-2-pyridin-3-ylbenzoate
CID 46317465
2-nitro-6-pyridin-2-yl-4-pyridin-3-ylaniline
CID 67004364
3-methyl-5-nitro-2-(2-phenylphenyl)pyridine
CID 86690158
5-bromo-3-pyridin-3-ylpyridin-2-amine
CID 119084821
5-(2-pyridin-3-yl-4-pyridinyl)pyrazin-2-amine
CID 174562607
3-(2,2-dimethyl-6-nitrochromen-4-yl)pyridine
CID 18987732
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
3-[1-(3-nitrophenyl)imidazol-4-yl]pyridine
CID 174550966

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine?
The IUPAC name of 3-(5-methyl-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine (CID 143908251) is 3-(5-methyl-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine.
What is the SMILES notation for 3-(5-methyl-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine?
The canonical SMILES for 3-(5-methyl-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine is Cc1cnc(-c2cccnc2)cc1-c1cc([N+](=O)[O-])cnc1N.
What is the InChIKey of 3-(5-methyl-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine?
The InChIKey is ULHTYLWPWNKHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-10-7-19-15(11-3-2-4-18-8-11)6-13(10)14-5-12(21(22)23)9-20-16(14)17/h2-9H,1H3,(H2,17,20).
What are the key properties of 3-(5-methyl-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine?
3-(5-methyl-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine has a molecular weight of 307.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 143908251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).