4-methyl-5-nitro-N-[(1-propylcyclopropyl)methyl]pyridin-2-amine

C13H19N3O2 — CID 103761740

IUPAC4-methyl-5-nitro-N-[(1-propylcyclopropyl)methyl]pyridin-2-amine
SMILESCCCC1(CNc2cc(C)c([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C13H19N3O2/c1-3-4-13(5-6-13)9-15-12-7-10(2)11(8-14-12)16(17)18/h7-8H,3-6,9H2,1-2H3,(H,14,15)
InChIKeyNCIGEMKKJKRWSJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.29
Rot. Bonds6

About 4-methyl-5-nitro-N-[(1-propylcyclopropyl)methyl]pyridin-2-amine

4-methyl-5-nitro-N-[(1-propylcyclopropyl)methyl]pyridin-2-amine (PubChem CID 103761740) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-methyl-5-nitro-N-[(1-propylcyclopropyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-5-nitro-N-[(1-propylcyclopropyl)methyl]pyridin-2-amine
PubChem CID103761740
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-methyl-5-nitro-N-[(1-propylcyclopropyl)methyl]pyridin-2-amine
SMILESCCCC1(CNc2cc(C)c([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C13H19N3O2/c1-3-4-13(5-6-13)9-15-12-7-10(2)11(8-14-12)16(17)18/h7-8H,3-6,9H2,1-2H3,(H,14,15)
InChIKeyNCIGEMKKJKRWSJ-UHFFFAOYSA-N
XLogP3.29
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 103989953
4-ethyl-1-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 79165262
4-methyl-N-(2-methylbutyl)-5-nitropyridin-2-amine
CID 79176219
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
4-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitropyridin-2-amine
CID 115669034
N-ethyl-N'-(4-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine
CID 79176524
N-(2-methoxy-2-methylpropyl)-4-methyl-5-nitropyridin-2-amine
CID 115669177
4-methyl-5-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 79176132
4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 79173432
6-methyl-N-[(1-propylcyclopropyl)methyl]pyrimidin-4-amine
CID 103761666
5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 107302588
3-bromo-N-[(1-ethylcyclopropyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 104576465

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-nitro-N-[(1-propylcyclopropyl)methyl]pyridin-2-amine?
The IUPAC name of 4-methyl-5-nitro-N-[(1-propylcyclopropyl)methyl]pyridin-2-amine (CID 103761740) is 4-methyl-5-nitro-N-[(1-propylcyclopropyl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-5-nitro-N-[(1-propylcyclopropyl)methyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-5-nitro-N-[(1-propylcyclopropyl)methyl]pyridin-2-amine is CCCC1(CNc2cc(C)c([N+](=O)[O-])cn2)CC1.
What is the InChIKey of 4-methyl-5-nitro-N-[(1-propylcyclopropyl)methyl]pyridin-2-amine?
The InChIKey is NCIGEMKKJKRWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-4-13(5-6-13)9-15-12-7-10(2)11(8-14-12)16(17)18/h7-8H,3-6,9H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-5-nitro-N-[(1-propylcyclopropyl)methyl]pyridin-2-amine?
4-methyl-5-nitro-N-[(1-propylcyclopropyl)methyl]pyridin-2-amine has a molecular weight of 249.31 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-nitro-N-[(1-propylcyclopropyl)methyl]pyridin-2-amine is sourced from PubChem (CID 103761740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).