N-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-nitropyridin-2-amine

C14H17N3O3 — CID 66280485

IUPACN-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-nitropyridin-2-amine
SMILESCc1cnc(NC(C)CCc2ccco2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H17N3O3/c1-10-8-13(17(18)19)14(15-9-10)16-11(2)5-6-12-4-3-7-20-12/h3-4,7-9,11H,5-6H2,1-2H3,(H,15,16)
InChIKeyRSDMTJSGUPLTRR-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.32
Rot. Bonds6

About N-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-nitropyridin-2-amine

N-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-nitropyridin-2-amine (PubChem CID 66280485) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-nitropyridin-2-amine
PubChem CID66280485
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-nitropyridin-2-amine
SMILESCc1cnc(NC(C)CCc2ccco2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H17N3O3/c1-10-8-13(17(18)19)14(15-9-10)16-11(2)5-6-12-4-3-7-20-12/h3-4,7-9,11H,5-6H2,1-2H3,(H,15,16)
InChIKeyRSDMTJSGUPLTRR-UHFFFAOYSA-N
XLogP3.32
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
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

5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine
CID 66278295
2-N-[4-(furan-2-yl)butan-2-yl]-3-nitropyridine-2,6-diamine
CID 80805005
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-5-nitropyrimidin-4-amine
CID 62100387
5-methyl-3-nitro-N-(1-phenylpropan-2-yl)pyridin-2-amine
CID 66279610
2-N-[4-(furan-2-yl)butan-2-yl]-3-methylpyridine-2,5-diamine
CID 55080552
N-[1-(furan-2-yl)-2-methoxyethyl]-5-methyl-3-nitropyridin-2-amine
CID 133336629
2-bromo-N-[4-(furan-2-yl)butan-2-yl]-4-methyl-5-nitroaniline
CID 104815065
N-[4-(furan-2-yl)butan-2-yl]-3-methoxy-4-nitroaniline
CID 63670300
N-(1-cyclopropylpropan-2-yl)-5-methyl-3-nitropyridin-2-amine
CID 66278519
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-4-nitropyridin-2-amine
CID 103888310
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]-2-nitroaniline
CID 115507851
N-[(2R)-4-(furan-2-yl)butan-2-yl]-5-nitroimidazo[2,1-b][1,3]thiazol-6-amine
CID 51432873

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-nitropyridin-2-amine (CID 66280485) is N-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-nitropyridin-2-amine is Cc1cnc(NC(C)CCc2ccco2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-nitropyridin-2-amine?
The InChIKey is RSDMTJSGUPLTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10-8-13(17(18)19)14(15-9-10)16-11(2)5-6-12-4-3-7-20-12/h3-4,7-9,11H,5-6H2,1-2H3,(H,15,16).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-nitropyridin-2-amine?
N-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-nitropyridin-2-amine has a molecular weight of 275.31 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 66280485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).