N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-nitrophenyl)propanamide

C21H19N3O3 — CID 67308595

IUPACN-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-nitrophenyl)propanamide
SMILESCc1cc(-c2ccc(NC(=O)C(C)c3ccc([N+](=O)[O-])cc3)cc2)ccn1
InChIInChI=1S/C21H19N3O3/c1-14-13-18(11-12-22-14)17-3-7-19(8-4-17)23-21(25)15(2)16-5-9-20(10-6-16)24(26)27/h3-13,15H,1-2H3,(H,23,25)
InChIKeyVARAFSVZWHUVHJ-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.71
Rot. Bonds5

About N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-nitrophenyl)propanamide

N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-nitrophenyl)propanamide (PubChem CID 67308595) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-nitrophenyl)propanamide
PubChem CID67308595
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-nitrophenyl)propanamide
SMILESCc1cc(-c2ccc(NC(=O)C(C)c3ccc([N+](=O)[O-])cc3)cc2)ccn1
InChIInChI=1S/C21H19N3O3/c1-14-13-18(11-12-22-14)17-3-7-19(8-4-17)23-21(25)15(2)16-5-9-20(10-6-16)24(26)27/h3-13,15H,1-2H3,(H,23,25)
InChIKeyVARAFSVZWHUVHJ-UHFFFAOYSA-N
XLogP4.71
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67308427
(2R)-2-(3-fluoro-4-phenylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67307773
(2R)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111459
(2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111458
(2R)-N-[4-(dimethylamino)phenyl]-2-(4-nitrophenyl)propanamide
CID 2111469
ethane;2-[3-[6-(methylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 143818025
(2R)-N-(3-fluorophenyl)-2-(4-nitrophenyl)propanamide
CID 894565
(2R)-2-(4-nitrophenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 895114
2-(3-bromo-4-fluorophenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
CID 123982115
N-(2-cyanophenyl)-2-(4-nitrophenyl)propanamide
CID 2944727
1-[1-(3-cyanophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053091
(2S)-2-(3-bromophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
CID 123178305

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-nitrophenyl)propanamide?
The IUPAC name of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-nitrophenyl)propanamide (CID 67308595) is N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-nitrophenyl)propanamide.
What is the SMILES notation for N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-nitrophenyl)propanamide?
The canonical SMILES for N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-nitrophenyl)propanamide is Cc1cc(-c2ccc(NC(=O)C(C)c3ccc([N+](=O)[O-])cc3)cc2)ccn1.
What is the InChIKey of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-nitrophenyl)propanamide?
The InChIKey is VARAFSVZWHUVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-14-13-18(11-12-22-14)17-3-7-19(8-4-17)23-21(25)15(2)16-5-9-20(10-6-16)24(26)27/h3-13,15H,1-2H3,(H,23,25).
What are the key properties of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-nitrophenyl)propanamide?
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-nitrophenyl)propanamide has a molecular weight of 361.40 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-nitrophenyl)propanamide is sourced from PubChem (CID 67308595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).