N,N'-bis(5-methyl-2-pyridinyl)-2-phenylpropanediamide

C21H20N4O2 — CID 3419355

IUPACN,N'-bis(5-methyl-2-pyridinyl)-2-phenylpropanediamide
SMILESCc1ccc(NC(=O)C(C(=O)Nc2ccc(C)cn2)c2ccccc2)nc1
InChIInChI=1S/C21H20N4O2/c1-14-8-10-17(22-12-14)24-20(26)19(16-6-4-3-5-7-16)21(27)25-18-11-9-15(2)13-23-18/h3-13,19H,1-2H3,(H,22,24,26)(H,23,25,27)
InChIKeyNFTSKOIHFKXTPJ-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.45
Rot. Bonds5

About N,N'-bis(5-methyl-2-pyridinyl)-2-phenylpropanediamide

N,N'-bis(5-methyl-2-pyridinyl)-2-phenylpropanediamide (PubChem CID 3419355) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N,N'-bis(5-methyl-2-pyridinyl)-2-phenylpropanediamide.

Molecular Properties

Compound NameN,N'-bis(5-methyl-2-pyridinyl)-2-phenylpropanediamide
PubChem CID3419355
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN,N'-bis(5-methyl-2-pyridinyl)-2-phenylpropanediamide
SMILESCc1ccc(NC(=O)C(C(=O)Nc2ccc(C)cn2)c2ccccc2)nc1
InChIInChI=1S/C21H20N4O2/c1-14-8-10-17(22-12-14)24-20(26)19(16-6-4-3-5-7-16)21(27)25-18-11-9-15(2)13-23-18/h3-13,19H,1-2H3,(H,22,24,26)(H,23,25,27)
InChIKeyNFTSKOIHFKXTPJ-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-amino-N-(5-methyl-2-pyridinyl)-2-phenylacetamide
CID 61148111
N-(5-methyl-2-pyridinyl)-2-phenoxy-2-phenylacetamide
CID 60543327
2-benzhydrylsulfanyl-N-(5-methyl-2-pyridinyl)acetamide
CID 46651551
N-(5-methyl-2-pyridinyl)-N'-(1-phenylethyl)oxamide
CID 44997207
(2S)-2-amino-N-(5-methyl-2-pyridinyl)propanamide
CID 61147752
2-(benzylamino)-N-(5-methyl-2-pyridinyl)propanamide
CID 118638719
(2S)-N-(5-methyl-2-pyridinyl)-2-phenylmethoxypropanamide
CID 51941390
N-(5-methyl-2-pyridinyl)-2-phenylsulfanylbutanamide
CID 23801442
1-benzhydryl-3-(5-methyl-2-pyridinyl)thiourea
CID 100664632
(2S)-N-(5-methyl-2-pyridinyl)-2-methylsulfonylpropanamide
CID 94025050
N-benzhydryl-5-methylpyridin-2-amine
CID 43344292
2-acetamido-N-(5-methyl-2-pyridinyl)benzamide
CID 3419265

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(5-methyl-2-pyridinyl)-2-phenylpropanediamide?
The IUPAC name of N,N'-bis(5-methyl-2-pyridinyl)-2-phenylpropanediamide (CID 3419355) is N,N'-bis(5-methyl-2-pyridinyl)-2-phenylpropanediamide.
What is the SMILES notation for N,N'-bis(5-methyl-2-pyridinyl)-2-phenylpropanediamide?
The canonical SMILES for N,N'-bis(5-methyl-2-pyridinyl)-2-phenylpropanediamide is Cc1ccc(NC(=O)C(C(=O)Nc2ccc(C)cn2)c2ccccc2)nc1.
What is the InChIKey of N,N'-bis(5-methyl-2-pyridinyl)-2-phenylpropanediamide?
The InChIKey is NFTSKOIHFKXTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-8-10-17(22-12-14)24-20(26)19(16-6-4-3-5-7-16)21(27)25-18-11-9-15(2)13-23-18/h3-13,19H,1-2H3,(H,22,24,26)(H,23,25,27).
What are the key properties of N,N'-bis(5-methyl-2-pyridinyl)-2-phenylpropanediamide?
N,N'-bis(5-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(5-methyl-2-pyridinyl)-2-phenylpropanediamide is sourced from PubChem (CID 3419355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).