6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine

C10H15N5O2 — CID 103577786

IUPAC6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine
SMILESCC1CN(c2ccc([N+](=O)[O-])c(N)n2)CC1N
InChIInChI=1S/C10H15N5O2/c1-6-4-14(5-7(6)11)9-3-2-8(15(16)17)10(12)13-9/h2-3,6-7H,4-5,11H2,1H3,(H2,12,13)
InChIKeyOGVPCVKOZDYBOW-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.36
Rot. Bonds2

About 6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine

6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine (PubChem CID 103577786) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine
PubChem CID103577786
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine
SMILESCC1CN(c2ccc([N+](=O)[O-])c(N)n2)CC1N
InChIInChI=1S/C10H15N5O2/c1-6-4-14(5-7(6)11)9-3-2-8(15(16)17)10(12)13-9/h2-3,6-7H,4-5,11H2,1H3,(H2,12,13)
InChIKeyOGVPCVKOZDYBOW-UHFFFAOYSA-N
XLogP0.36
TPSA111.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.36
H-Bond Donors ≤ 52
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

6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine
CID 99718980
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-nitropyridin-2-amine
CID 99718979
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-nitropyridin-2-amine
CID 113336387
1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 79825655
6-(4-methylpiperazin-1-yl)-3-nitropyridin-2-amine
CID 21354525
1-[1-(6-amino-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 112627940
6-(4-methylsulfanylpiperidin-1-yl)-3-nitropyridin-2-amine
CID 114238626
6-[4-(1-aminoethyl)piperidin-1-yl]-3-nitropyridin-2-amine
CID 79816167
1-(5-chloro-2-nitrophenyl)-4-methylpyrrolidin-3-amine
CID 103577570
1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide
CID 103198490
1-(6-amino-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79827817
3-nitro-6-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridin-2-amine
CID 79827982

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine?
The IUPAC name of 6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine (CID 103577786) is 6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine is CC1CN(c2ccc([N+](=O)[O-])c(N)n2)CC1N.
What is the InChIKey of 6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine?
The InChIKey is OGVPCVKOZDYBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-6-4-14(5-7(6)11)9-3-2-8(15(16)17)10(12)13-9/h2-3,6-7H,4-5,11H2,1H3,(H2,12,13).
What are the key properties of 6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine?
6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine has a molecular weight of 237.26 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-4-methylpyrrolidin-1-yl)-3-nitropyridin-2-amine is sourced from PubChem (CID 103577786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).