4-methyl-3-nitro-N-pentylpyridin-2-amine

C11H17N3O2 — CID 57153384

IUPAC4-methyl-3-nitro-N-pentylpyridin-2-amine
SMILESCCCCCNc1nccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O2/c1-3-4-5-7-12-11-10(14(15)16)9(2)6-8-13-11/h6,8H,3-5,7H2,1-2H3,(H,12,13)
InChIKeySOALOYCGOKXDNM-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.90
Rot. Bonds6

About 4-methyl-3-nitro-N-pentylpyridin-2-amine

4-methyl-3-nitro-N-pentylpyridin-2-amine (PubChem CID 57153384) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-methyl-3-nitro-N-pentylpyridin-2-amine.

Molecular Properties

Compound Name4-methyl-3-nitro-N-pentylpyridin-2-amine
PubChem CID57153384
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-methyl-3-nitro-N-pentylpyridin-2-amine
SMILESCCCCCNc1nccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O2/c1-3-4-5-7-12-11-10(14(15)16)9(2)6-8-13-11/h6,8H,3-5,7H2,1-2H3,(H,12,13)
InChIKeySOALOYCGOKXDNM-UHFFFAOYSA-N
XLogP2.90
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-methoxyethoxy)butyl]-4-methyl-3-nitropyridin-2-amine
CID 115629498
5-nitro-4-N,6-N-dipentylpyrimidine-4,6-diamine
CID 4072396
2-methyl-5-[(4-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid
CID 113440749
4,6-dimethyl-3-nitro-N-pentylpyridin-2-amine
CID 57151190
4-methyl-3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]pyridin-2-amine
CID 127265038
4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine
CID 24903275
N-(2-chloroprop-2-enyl)-4-methyl-3-nitropyridin-2-amine
CID 115637328
4-methyl-N-(3-methylbut-2-enyl)-3-nitropyridin-2-amine
CID 103525180
4-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
CID 24903164
4-methyl-N-[(4-methyl-3-pyridinyl)methyl]-3-nitropyridin-2-amine
CID 114956616
4,4-dimethyl-5-[(4-methyl-3-nitro-2-pyridinyl)amino]pentan-1-ol
CID 103895848
4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104972861

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitro-N-pentylpyridin-2-amine?
The IUPAC name of 4-methyl-3-nitro-N-pentylpyridin-2-amine (CID 57153384) is 4-methyl-3-nitro-N-pentylpyridin-2-amine.
What is the SMILES notation for 4-methyl-3-nitro-N-pentylpyridin-2-amine?
The canonical SMILES for 4-methyl-3-nitro-N-pentylpyridin-2-amine is CCCCCNc1nccc(C)c1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitro-N-pentylpyridin-2-amine?
The InChIKey is SOALOYCGOKXDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-4-5-7-12-11-10(14(15)16)9(2)6-8-13-11/h6,8H,3-5,7H2,1-2H3,(H,12,13).
What are the key properties of 4-methyl-3-nitro-N-pentylpyridin-2-amine?
4-methyl-3-nitro-N-pentylpyridin-2-amine has a molecular weight of 223.28 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitro-N-pentylpyridin-2-amine is sourced from PubChem (CID 57153384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).