5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine

C14H22N4O2 — CID 83266893

IUPAC5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine
SMILESCc1cnc(NCC(C)CN2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-11(10-17-5-3-4-6-17)8-15-14-7-13(18(19)20)12(2)9-16-14/h7,9,11H,3-6,8,10H2,1-2H3,(H,15,16)
InChIKeyFQIYNLNBBNSENV-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.44
Rot. Bonds6

About 5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine

5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine (PubChem CID 83266893) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine
PubChem CID83266893
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine
SMILESCc1cnc(NCC(C)CN2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-11(10-17-5-3-4-6-17)8-15-14-7-13(18(19)20)12(2)9-16-14/h7,9,11H,3-6,8,10H2,1-2H3,(H,15,16)
InChIKeyFQIYNLNBBNSENV-UHFFFAOYSA-N
XLogP2.44
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.44
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-4-nitro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 83268380
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine
CID 62994385
N-(2,3-dimethylbutyl)-5-methyl-4-nitropyridin-2-amine
CID 83267138
4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-nitroaniline
CID 62994736
6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-nitropyridine-3-carbonitrile
CID 103471625
4-methyl-5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 79173745
4-methyl-N-(2-methylbutyl)-5-nitropyridin-2-amine
CID 79176219
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
3-methyl-2-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]butanoic acid
CID 83269700
4-iodo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-nitroaniline
CID 66065491
2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-4-nitroaniline
CID 61020092
2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-5-nitroaniline
CID 62590870

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine?
The IUPAC name of 5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine (CID 83266893) is 5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine.
What is the SMILES notation for 5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine?
The canonical SMILES for 5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine is Cc1cnc(NCC(C)CN2CCCC2)cc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine?
The InChIKey is FQIYNLNBBNSENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11(10-17-5-3-4-6-17)8-15-14-7-13(18(19)20)12(2)9-16-14/h7,9,11H,3-6,8,10H2,1-2H3,(H,15,16).
What are the key properties of 5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine?
5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine is sourced from PubChem (CID 83266893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).