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

C13H20N4O2 — CID 62994385

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine
SMILESCC(CNc1cc([N+](=O)[O-])ccn1)CN1CCCC1
InChIInChI=1S/C13H20N4O2/c1-11(10-16-6-2-3-7-16)9-15-13-8-12(17(18)19)4-5-14-13/h4-5,8,11H,2-3,6-7,9-10H2,1H3,(H,14,15)
InChIKeyRYQYGNXISDZJQZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.13
Rot. Bonds6

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

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine (PubChem CID 62994385) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine
PubChem CID62994385
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine
SMILESCC(CNc1cc([N+](=O)[O-])ccn1)CN1CCCC1
InChIInChI=1S/C13H20N4O2/c1-11(10-16-6-2-3-7-16)9-15-13-8-12(17(18)19)4-5-14-13/h4-5,8,11H,2-3,6-7,9-10H2,1H3,(H,14,15)
InChIKeyRYQYGNXISDZJQZ-UHFFFAOYSA-N
XLogP2.13
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.13
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-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine
CID 83266893
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-nitroaniline
CID 62992142
2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-5-nitroaniline
CID 62590870
2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-4-nitroaniline
CID 61020092
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66331043
2-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)-4-nitroaniline
CID 60967018
N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 62994036
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-3-nitropyridine-4-carbonitrile
CID 80711380
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 133297711
4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-nitroaniline
CID 62994736
4-iodo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-nitroaniline
CID 66065491
6-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-nitropyrimidin-4-amine
CID 62994227

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine (CID 62994385) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine is CC(CNc1cc([N+](=O)[O-])ccn1)CN1CCCC1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine?
The InChIKey is RYQYGNXISDZJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-11(10-16-6-2-3-7-16)9-15-13-8-12(17(18)19)4-5-14-13/h4-5,8,11H,2-3,6-7,9-10H2,1H3,(H,14,15).
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine is sourced from PubChem (CID 62994385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).