N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine

C10H13N3O2 — CID 83267584

IUPACN-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine
SMILESCc1cnc(NCC2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O2/c1-7-5-11-10(4-9(7)13(14)15)12-6-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,11,12)
InChIKeySMLWMBHDBZVGKF-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.12
Rot. Bonds4

About N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine

N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine (PubChem CID 83267584) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine
PubChem CID83267584
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine
SMILESCc1cnc(NCC2CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O2/c1-7-5-11-10(4-9(7)13(14)15)12-6-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,11,12)
InChIKeySMLWMBHDBZVGKF-UHFFFAOYSA-N
XLogP2.12
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.12
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

4-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 106130818
N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-4-nitropyridin-2-amine
CID 83266650
5-methyl-4-nitro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 83269750
4-methyl-5-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 79176132
5-methyl-N-[(2-methyloxolan-3-yl)methyl]-4-nitropyridin-2-amine
CID 114106282
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
N-cyclopropyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83269747
2-[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]piperidin-1-yl]ethanol
CID 133329211
N-(3-ethoxypropyl)-5-methyl-4-nitropyridin-2-amine
CID 83269938
4-methyl-5-nitro-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-2-amine
CID 133486685
5-methyl-4-nitro-N-(3-propoxypropyl)pyridin-2-amine
CID 83266664
N-(2,3-dimethylbutyl)-5-methyl-4-nitropyridin-2-amine
CID 83267138

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine (CID 83267584) is N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine is Cc1cnc(NCC2CC2)cc1[N+](=O)[O-].
What is the InChIKey of N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine?
The InChIKey is SMLWMBHDBZVGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-5-11-10(4-9(7)13(14)15)12-6-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,11,12).
What are the key properties of N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine?
N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine has a molecular weight of 207.23 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine is sourced from PubChem (CID 83267584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).