N-[3-(2,3-dihydroindol-1-yl)propyl]-5-nitropyridin-2-amine

C16H18N4O2 — CID 34058867

IUPACN-[3-(2,3-dihydroindol-1-yl)propyl]-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCCCN2CCc3ccccc32)nc1
InChIInChI=1S/C16H18N4O2/c21-20(22)14-6-7-16(18-12-14)17-9-3-10-19-11-8-13-4-1-2-5-15(13)19/h1-2,4-7,12H,3,8-11H2,(H,17,18)
InChIKeyDFQDATUNMFLWFU-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.85
Rot. Bonds6

About N-[3-(2,3-dihydroindol-1-yl)propyl]-5-nitropyridin-2-amine

N-[3-(2,3-dihydroindol-1-yl)propyl]-5-nitropyridin-2-amine (PubChem CID 34058867) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)propyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)propyl]-5-nitropyridin-2-amine
PubChem CID34058867
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)propyl]-5-nitropyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NCCCN2CCc3ccccc32)nc1
InChIInChI=1S/C16H18N4O2/c21-20(22)14-6-7-16(18-12-14)17-9-3-10-19-11-8-13-4-1-2-5-15(13)19/h1-2,4-7,12H,3,8-11H2,(H,17,18)
InChIKeyDFQDATUNMFLWFU-UHFFFAOYSA-N
XLogP2.85
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 135114633
5-nitro-N-[(2-piperidin-1-ylphenyl)methyl]pyridin-2-amine
CID 133439624
N-cyclopropyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 62663238
N-[3-(2,3-dihydroindol-1-yl)propyl]formamide
CID 64990492
tert-butyl 4-[3-[(5-nitro-2-pyridinyl)amino]propyl]piperazine-1-carboxylate
CID 47038402
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 141044426
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride
CID 141018206
3-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489463
N',N'-diethyl-N-(5-nitro-2-pyridinyl)propane-1,3-diamine
CID 28538897
5-nitro-N-[3-(oxan-4-yloxy)propyl]pyridin-2-amine
CID 71996258
N-[3-(2,3-dihydroindol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 112820602
N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine
CID 60867490

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-5-nitropyridin-2-amine?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-5-nitropyridin-2-amine (CID 34058867) is N-[3-(2,3-dihydroindol-1-yl)propyl]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)propyl]-5-nitropyridin-2-amine?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)propyl]-5-nitropyridin-2-amine is O=[N+]([O-])c1ccc(NCCCN2CCc3ccccc32)nc1.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)propyl]-5-nitropyridin-2-amine?
The InChIKey is DFQDATUNMFLWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-20(22)14-6-7-16(18-12-14)17-9-3-10-19-11-8-13-4-1-2-5-15(13)19/h1-2,4-7,12H,3,8-11H2,(H,17,18).
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)propyl]-5-nitropyridin-2-amine?
N-[3-(2,3-dihydroindol-1-yl)propyl]-5-nitropyridin-2-amine has a molecular weight of 298.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)propyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 34058867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).