N-[2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitrophenyl]formamide

C14H17N3O4 — CID 121269095

IUPACN-[2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitrophenyl]formamide
SMILESCOc1cc(C2=CCN(C)CC2)c([N+](=O)[O-])cc1NC=O
InChIInChI=1S/C14H17N3O4/c1-16-5-3-10(4-6-16)11-7-14(21-2)12(15-9-18)8-13(11)17(19)20/h3,7-9H,4-6H2,1-2H3,(H,15,18)
InChIKeyYKEZOHYUTXPNFK-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.89
Rot. Bonds5

About N-[2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitrophenyl]formamide

N-[2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitrophenyl]formamide (PubChem CID 121269095) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitrophenyl]formamide.

Molecular Properties

Compound NameN-[2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitrophenyl]formamide
PubChem CID121269095
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN-[2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitrophenyl]formamide
SMILESCOc1cc(C2=CCN(C)CC2)c([N+](=O)[O-])cc1NC=O
InChIInChI=1S/C14H17N3O4/c1-16-5-3-10(4-6-16)11-7-14(21-2)12(15-9-18)8-13(11)17(19)20/h3,7-9H,4-6H2,1-2H3,(H,15,18)
InChIKeyYKEZOHYUTXPNFK-UHFFFAOYSA-N
XLogP1.89
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-(5-fluoro-2-methoxy-4-nitrophenyl)formamide
CID 168650974
4-[1-(benzenesulfonyl)indol-3-yl]-5-chloro-N-[2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitrophenyl]pyrimidin-2-amine
CID 71239353
N-(5-methoxy-2-methyl-4-nitrophenyl)formamide
CID 168654239
4-(5-cyclopentyl-4-methoxycarbonyloxy-2-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 123879038
2-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitrophenyl]acetonitrile
CID 170324676
N-[5-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-nitrophenyl]formamide
CID 58622923
4-(4-bromo-5-methoxy-2-nitrophenyl)piperazine-1-carbaldehyde
CID 155146931
1-[4-(3-methoxy-4-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 118464905
4-(3-methoxy-4-nitrophenyl)-1-methylpiperidine
CID 83404378
8-methoxy-2-methyl-5-nitro-3,4-dihydro-1H-isoquinoline
CID 118465164
1-(4,5-dimethoxy-2-nitrophenyl)pyrrolidine
CID 616606
tert-butyl 4-(4-amino-5-methoxy-2-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-methoxy-2-methyl-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;1-chloro-5-methoxy-2-methyl-4-nitrobenzene;1,5-dichloro-2-methyl-4-nitrobenzene;2-methoxy-5-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline
CID 161338251

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitrophenyl]formamide?
The IUPAC name of N-[2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitrophenyl]formamide (CID 121269095) is N-[2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitrophenyl]formamide.
What is the SMILES notation for N-[2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitrophenyl]formamide?
The canonical SMILES for N-[2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitrophenyl]formamide is COc1cc(C2=CCN(C)CC2)c([N+](=O)[O-])cc1NC=O.
What is the InChIKey of N-[2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitrophenyl]formamide?
The InChIKey is YKEZOHYUTXPNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-16-5-3-10(4-6-16)11-7-14(21-2)12(15-9-18)8-13(11)17(19)20/h3,7-9H,4-6H2,1-2H3,(H,15,18).
What are the key properties of N-[2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitrophenyl]formamide?
N-[2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitrophenyl]formamide has a molecular weight of 291.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitrophenyl]formamide is sourced from PubChem (CID 121269095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).