N,N'-bis(3-methyl-2-pyridinyl)-2-phenylpropanediamide

C21H20N4O2 — CID 3398462

IUPACN,N'-bis(3-methyl-2-pyridinyl)-2-phenylpropanediamide
SMILESCc1cccnc1NC(=O)C(C(=O)Nc1ncccc1C)c1ccccc1
InChIInChI=1S/C21H20N4O2/c1-14-8-6-12-22-18(14)24-20(26)17(16-10-4-3-5-11-16)21(27)25-19-15(2)9-7-13-23-19/h3-13,17H,1-2H3,(H,22,24,26)(H,23,25,27)
InChIKeyQILHHJNCCKCABT-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.45
Rot. Bonds5

About N,N'-bis(3-methyl-2-pyridinyl)-2-phenylpropanediamide

N,N'-bis(3-methyl-2-pyridinyl)-2-phenylpropanediamide (PubChem CID 3398462) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N,N'-bis(3-methyl-2-pyridinyl)-2-phenylpropanediamide.

Molecular Properties

Compound NameN,N'-bis(3-methyl-2-pyridinyl)-2-phenylpropanediamide
PubChem CID3398462
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN,N'-bis(3-methyl-2-pyridinyl)-2-phenylpropanediamide
SMILESCc1cccnc1NC(=O)C(C(=O)Nc1ncccc1C)c1ccccc1
InChIInChI=1S/C21H20N4O2/c1-14-8-6-12-22-18(14)24-20(26)17(16-10-4-3-5-11-16)21(27)25-19-15(2)9-7-13-23-19/h3-13,17H,1-2H3,(H,22,24,26)(H,23,25,27)
InChIKeyQILHHJNCCKCABT-UHFFFAOYSA-N
XLogP3.45
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-hydroxy-N-(3-methyl-2-pyridinyl)propanamide
CID 130662699
1-benzhydryl-3-(3-methyl-2-pyridinyl)urea
CID 108867567
2-amino-N-(3-methyl-2-pyridinyl)propanamide
CID 60731979
(2R)-N-(3-methyl-2-pyridinyl)-2-phenylsulfanylpropanamide
CID 39951954
2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 738391
2-benzhydrylsulfanyl-N-(3-methyl-2-pyridinyl)acetamide
CID 27896934
N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
CID 1108359
(2R)-2-amino-N-(3-methyl-2-pyridinyl)pentanamide
CID 107568105
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
N,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide
CID 3393245
2-anilino-N-(3-methyl-2-pyridinyl)acetamide
CID 60860277
2-(2-hydroxyphenyl)-N-(3-methyl-2-pyridinyl)acetamide
CID 60615989

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-methyl-2-pyridinyl)-2-phenylpropanediamide?
The IUPAC name of N,N'-bis(3-methyl-2-pyridinyl)-2-phenylpropanediamide (CID 3398462) is N,N'-bis(3-methyl-2-pyridinyl)-2-phenylpropanediamide.
What is the SMILES notation for N,N'-bis(3-methyl-2-pyridinyl)-2-phenylpropanediamide?
The canonical SMILES for N,N'-bis(3-methyl-2-pyridinyl)-2-phenylpropanediamide is Cc1cccnc1NC(=O)C(C(=O)Nc1ncccc1C)c1ccccc1.
What is the InChIKey of N,N'-bis(3-methyl-2-pyridinyl)-2-phenylpropanediamide?
The InChIKey is QILHHJNCCKCABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-8-6-12-22-18(14)24-20(26)17(16-10-4-3-5-11-16)21(27)25-19-15(2)9-7-13-23-19/h3-13,17H,1-2H3,(H,22,24,26)(H,23,25,27).
What are the key properties of N,N'-bis(3-methyl-2-pyridinyl)-2-phenylpropanediamide?
N,N'-bis(3-methyl-2-pyridinyl)-2-phenylpropanediamide has a molecular weight of 360.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-methyl-2-pyridinyl)-2-phenylpropanediamide is sourced from PubChem (CID 3398462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).