6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-nitropyridin-2-amine

C20H27N5O4 — CID 110184363

IUPAC6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-nitropyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NCCCN2CCN(c3ccccc3OC)CC2)n1
InChIInChI=1S/C20H27N5O4/c1-28-18-7-4-3-6-16(18)24-14-12-23(13-15-24)11-5-10-21-20-17(25(26)27)8-9-19(22-20)29-2/h3-4,6-9H,5,10-15H2,1-2H3,(H,21,22)
InChIKeyFRYSFWSSYDHYSK-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.63
Rot. Bonds9

About 6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-nitropyridin-2-amine

6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-nitropyridin-2-amine (PubChem CID 110184363) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is 6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-nitropyridin-2-amine
PubChem CID110184363
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Name6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-nitropyridin-2-amine
SMILESCOc1ccc([N+](=O)[O-])c(NCCCN2CCN(c3ccccc3OC)CC2)n1
InChIInChI=1S/C20H27N5O4/c1-28-18-7-4-3-6-16(18)24-14-12-23(13-15-24)11-5-10-21-20-17(25(26)27)8-9-19(22-20)29-2/h3-4,6-9H,5,10-15H2,1-2H3,(H,21,22)
InChIKeyFRYSFWSSYDHYSK-UHFFFAOYSA-N
XLogP2.63
TPSA93.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-nitrobenzenesulfonamide
CID 42267812
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-nitropyridin-2-amine
CID 133294018
N-(6-methoxy-3-nitro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 70453186
6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
CID 113286768
1-(3-chloropropyl)-4-(6-methoxy-3-nitro-2-pyridinyl)piperazine
CID 110184367
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918200
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide
CID 113286764
6-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
CID 21473425
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-thiazol-2-amine
CID 89427881
1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine
CID 110284680
methyl 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoate
CID 115323388

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-nitropyridin-2-amine?
The IUPAC name of 6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-nitropyridin-2-amine (CID 110184363) is 6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-nitropyridin-2-amine?
The canonical SMILES for 6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-nitropyridin-2-amine is COc1ccc([N+](=O)[O-])c(NCCCN2CCN(c3ccccc3OC)CC2)n1.
What is the InChIKey of 6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-nitropyridin-2-amine?
The InChIKey is FRYSFWSSYDHYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4/c1-28-18-7-4-3-6-16(18)24-14-12-23(13-15-24)11-5-10-21-20-17(25(26)27)8-9-19(22-20)29-2/h3-4,6-9H,5,10-15H2,1-2H3,(H,21,22).
What are the key properties of 6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-nitropyridin-2-amine?
6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-nitropyridin-2-amine has a molecular weight of 401.47 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 110184363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).