3-methyl-5-nitro-N-(2-phenylcyclopropyl)pyridin-2-amine

C15H15N3O2 — CID 62476705

IUPAC3-methyl-5-nitro-N-(2-phenylcyclopropyl)pyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NC1CC1c1ccccc1
InChIInChI=1S/C15H15N3O2/c1-10-7-12(18(19)20)9-16-15(10)17-14-8-13(14)11-5-3-2-4-6-11/h2-7,9,13-14H,8H2,1H3,(H,16,17)
InChIKeyPQCULRGTNSJLON-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.27
Rot. Bonds4

About 3-methyl-5-nitro-N-(2-phenylcyclopropyl)pyridin-2-amine

3-methyl-5-nitro-N-(2-phenylcyclopropyl)pyridin-2-amine (PubChem CID 62476705) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-methyl-5-nitro-N-(2-phenylcyclopropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-methyl-5-nitro-N-(2-phenylcyclopropyl)pyridin-2-amine
PubChem CID62476705
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-methyl-5-nitro-N-(2-phenylcyclopropyl)pyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NC1CC1c1ccccc1
InChIInChI=1S/C15H15N3O2/c1-10-7-12(18(19)20)9-16-15(10)17-14-8-13(14)11-5-3-2-4-6-11/h2-7,9,13-14H,8H2,1H3,(H,16,17)
InChIKeyPQCULRGTNSJLON-UHFFFAOYSA-N
XLogP3.27
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.27
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

1-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine
CID 62475699
N-benzyl-3-methyl-5-nitropyridin-2-amine
CID 58926720
2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 55080985
2-nitro-N-(2-phenylcyclopropyl)pyridin-3-amine
CID 115593125
2-iodo-4-nitro-N-(2-phenylcyclopropyl)aniline
CID 66095333
6-hydrazinyl-5-nitro-N-(2-phenylcyclopropyl)pyrimidin-4-amine
CID 80902156
N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-5-nitropyridin-2-amine
CID 62475877
3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 62478044
5-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine
CID 164630320
3-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine
CID 103704257
3-methyl-5-nitro-N-[(1-phenylsulfanylcyclopropyl)methyl]pyridin-2-amine
CID 133296922
N-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine
CID 133399425

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-nitro-N-(2-phenylcyclopropyl)pyridin-2-amine?
The IUPAC name of 3-methyl-5-nitro-N-(2-phenylcyclopropyl)pyridin-2-amine (CID 62476705) is 3-methyl-5-nitro-N-(2-phenylcyclopropyl)pyridin-2-amine.
What is the SMILES notation for 3-methyl-5-nitro-N-(2-phenylcyclopropyl)pyridin-2-amine?
The canonical SMILES for 3-methyl-5-nitro-N-(2-phenylcyclopropyl)pyridin-2-amine is Cc1cc([N+](=O)[O-])cnc1NC1CC1c1ccccc1.
What is the InChIKey of 3-methyl-5-nitro-N-(2-phenylcyclopropyl)pyridin-2-amine?
The InChIKey is PQCULRGTNSJLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-7-12(18(19)20)9-16-15(10)17-14-8-13(14)11-5-3-2-4-6-11/h2-7,9,13-14H,8H2,1H3,(H,16,17).
What are the key properties of 3-methyl-5-nitro-N-(2-phenylcyclopropyl)pyridin-2-amine?
3-methyl-5-nitro-N-(2-phenylcyclopropyl)pyridin-2-amine has a molecular weight of 269.30 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-nitro-N-(2-phenylcyclopropyl)pyridin-2-amine is sourced from PubChem (CID 62476705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).