N-methyl-3-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]propanamide

C16H18N4O4 — CID 133329432

IUPACN-methyl-3-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]propanamide
SMILESCNC(=O)CCOc1ccc(Nc2cc(C)c([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C16H18N4O4/c1-11-9-15(18-10-14(11)20(22)23)19-12-3-5-13(6-4-12)24-8-7-16(21)17-2/h3-6,9-10H,7-8H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyPNXIAIHENOJMKB-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.56
Rot. Bonds7

About N-methyl-3-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]propanamide

N-methyl-3-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]propanamide (PubChem CID 133329432) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-methyl-3-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]propanamide.

Molecular Properties

Compound NameN-methyl-3-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]propanamide
PubChem CID133329432
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC NameN-methyl-3-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]propanamide
SMILESCNC(=O)CCOc1ccc(Nc2cc(C)c([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C16H18N4O4/c1-11-9-15(18-10-14(11)20(22)23)19-12-3-5-13(6-4-12)24-8-7-16(21)17-2/h3-6,9-10H,7-8H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyPNXIAIHENOJMKB-UHFFFAOYSA-N
XLogP2.56
TPSA106.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
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

2-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]ethanol
CID 133329764
4-N-(4-methyl-5-nitro-2-pyridinyl)benzene-1,4-diamine
CID 79173729
4-methyl-5-nitro-N-[4-(oxan-4-ylmethoxy)phenyl]pyridin-2-amine
CID 133339951
2-N-methyl-5-N-(4-methyl-5-nitro-2-pyridinyl)pyridine-2,5-diamine
CID 71983733
N-methyl-3-[(5-methyl-4-nitro-2-pyridinyl)amino]propanamide
CID 83268573
N,3-dimethyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]butanamide
CID 133388185
3-N-(4-methyl-5-nitro-2-pyridinyl)benzene-1,3-diamine
CID 79173832
3-N-ethyl-3-N-methyl-1-N-(4-methyl-5-nitro-2-pyridinyl)benzene-1,3-diamine
CID 133329240
N-(3-methoxy-4-propan-2-yloxyphenyl)-4-methyl-5-nitropyridin-2-amine
CID 133477676
4-methyl-N-[2-(3-methylphenoxy)ethyl]-5-nitropyridin-2-amine
CID 79165242
N-(2-methoxyethyl)-2-[(4-methyl-5-nitro-2-pyridinyl)amino]acetamide
CID 112696061
N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-4-methyl-5-nitropyridin-2-amine
CID 133339689

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]propanamide?
The IUPAC name of N-methyl-3-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]propanamide (CID 133329432) is N-methyl-3-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]propanamide.
What is the SMILES notation for N-methyl-3-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]propanamide?
The canonical SMILES for N-methyl-3-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]propanamide is CNC(=O)CCOc1ccc(Nc2cc(C)c([N+](=O)[O-])cn2)cc1.
What is the InChIKey of N-methyl-3-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]propanamide?
The InChIKey is PNXIAIHENOJMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-11-9-15(18-10-14(11)20(22)23)19-12-3-5-13(6-4-12)24-8-7-16(21)17-2/h3-6,9-10H,7-8H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of N-methyl-3-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]propanamide?
N-methyl-3-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]propanamide has a molecular weight of 330.34 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]propanamide is sourced from PubChem (CID 133329432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).