N-[3-(5-methoxy-2-nitrophenyl)-3-oxopropyl]-4-methylpyridine-2-carboxamide

C17H17N3O5 — CID 138563916

IUPACN-[3-(5-methoxy-2-nitrophenyl)-3-oxopropyl]-4-methylpyridine-2-carboxamide
SMILESCOc1ccc([N+](=O)[O-])c(C(=O)CCNC(=O)c2cc(C)ccn2)c1
InChIInChI=1S/C17H17N3O5/c1-11-5-7-18-14(9-11)17(22)19-8-6-16(21)13-10-12(25-2)3-4-15(13)20(23)24/h3-5,7,9-10H,6,8H2,1-2H3,(H,19,22)
InChIKeyMQNJLDAQOKFPAI-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.31
Rot. Bonds7

About N-[3-(5-methoxy-2-nitrophenyl)-3-oxopropyl]-4-methylpyridine-2-carboxamide

N-[3-(5-methoxy-2-nitrophenyl)-3-oxopropyl]-4-methylpyridine-2-carboxamide (PubChem CID 138563916) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[3-(5-methoxy-2-nitrophenyl)-3-oxopropyl]-4-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methoxy-2-nitrophenyl)-3-oxopropyl]-4-methylpyridine-2-carboxamide
PubChem CID138563916
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[3-(5-methoxy-2-nitrophenyl)-3-oxopropyl]-4-methylpyridine-2-carboxamide
SMILESCOc1ccc([N+](=O)[O-])c(C(=O)CCNC(=O)c2cc(C)ccn2)c1
InChIInChI=1S/C17H17N3O5/c1-11-5-7-18-14(9-11)17(22)19-8-6-16(21)13-10-12(25-2)3-4-15(13)20(23)24/h3-5,7,9-10H,6,8H2,1-2H3,(H,19,22)
InChIKeyMQNJLDAQOKFPAI-UHFFFAOYSA-N
XLogP2.31
TPSA111.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[3-(5-methoxy-2-nitrophenyl)-3-oxopropyl]butanamide
CID 11680891
2-methoxy-1-(5-methoxy-2-nitrophenyl)ethanone
CID 21275738
5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
CID 131864696
N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methoxy-2-nitrobenzamide
CID 52754815
(3-methyl-4-nitrophenyl) 4-[(4-methoxybenzoyl)amino]butanoate
CID 55622898
4-methoxy-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide
CID 91778944
5-methoxy-2-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 47847319
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-2-nitrobenzamide
CID 47845610
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-5-methoxy-2-nitrobenzamide
CID 52860951
5-methoxy-2-nitro-N-[2-[(S)-phenylsulfinyl]ethyl]benzamide
CID 96515513
N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide
CID 110860588
3-[(5-methoxy-2-nitrobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119249801

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methoxy-2-nitrophenyl)-3-oxopropyl]-4-methylpyridine-2-carboxamide?
The IUPAC name of N-[3-(5-methoxy-2-nitrophenyl)-3-oxopropyl]-4-methylpyridine-2-carboxamide (CID 138563916) is N-[3-(5-methoxy-2-nitrophenyl)-3-oxopropyl]-4-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-(5-methoxy-2-nitrophenyl)-3-oxopropyl]-4-methylpyridine-2-carboxamide?
The canonical SMILES for N-[3-(5-methoxy-2-nitrophenyl)-3-oxopropyl]-4-methylpyridine-2-carboxamide is COc1ccc([N+](=O)[O-])c(C(=O)CCNC(=O)c2cc(C)ccn2)c1.
What is the InChIKey of N-[3-(5-methoxy-2-nitrophenyl)-3-oxopropyl]-4-methylpyridine-2-carboxamide?
The InChIKey is MQNJLDAQOKFPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-11-5-7-18-14(9-11)17(22)19-8-6-16(21)13-10-12(25-2)3-4-15(13)20(23)24/h3-5,7,9-10H,6,8H2,1-2H3,(H,19,22).
What are the key properties of N-[3-(5-methoxy-2-nitrophenyl)-3-oxopropyl]-4-methylpyridine-2-carboxamide?
N-[3-(5-methoxy-2-nitrophenyl)-3-oxopropyl]-4-methylpyridine-2-carboxamide has a molecular weight of 343.34 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methoxy-2-nitrophenyl)-3-oxopropyl]-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 138563916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).