2,2-dimethyl-N-(pyridin-2-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide

C21H26N4O2 — CID 108963447

IUPAC2,2-dimethyl-N-(pyridin-2-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
SMILESCC(C)(C(=O)NCc1ccccn1)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C21H26N4O2/c1-21(2,19(26)23-15-17-7-3-4-12-22-17)20(27)24-16-8-10-18(11-9-16)25-13-5-6-14-25/h3-4,7-12H,5-6,13-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyJOWZXPAVCIWBCU-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.96
Rot. Bonds6

About 2,2-dimethyl-N-(pyridin-2-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide

2,2-dimethyl-N-(pyridin-2-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide (PubChem CID 108963447) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2,2-dimethyl-N-(pyridin-2-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(pyridin-2-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
PubChem CID108963447
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2,2-dimethyl-N-(pyridin-2-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
SMILESCC(C)(C(=O)NCc1ccccn1)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C21H26N4O2/c1-21(2,19(26)23-15-17-7-3-4-12-22-17)20(27)24-16-8-10-18(11-9-16)25-13-5-6-14-25/h3-4,7-12H,5-6,13-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyJOWZXPAVCIWBCU-UHFFFAOYSA-N
XLogP2.96
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963397
2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963754
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
N-(4-piperidin-1-ylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191130
N-(3,5-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963474
2-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 110648259
2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108967489
2-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109306986
4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109212916
2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-2-ylmethyl)propanamide
CID 108959830
N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120760
N-benzyl-2,2-dimethyl-N'-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide
CID 108961621

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(pyridin-2-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide?
The IUPAC name of 2,2-dimethyl-N-(pyridin-2-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide (CID 108963447) is 2,2-dimethyl-N-(pyridin-2-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide.
What is the SMILES notation for 2,2-dimethyl-N-(pyridin-2-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide?
The canonical SMILES for 2,2-dimethyl-N-(pyridin-2-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide is CC(C)(C(=O)NCc1ccccn1)C(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2,2-dimethyl-N-(pyridin-2-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide?
The InChIKey is JOWZXPAVCIWBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-21(2,19(26)23-15-17-7-3-4-12-22-17)20(27)24-16-8-10-18(11-9-16)25-13-5-6-14-25/h3-4,7-12H,5-6,13-15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 2,2-dimethyl-N-(pyridin-2-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide?
2,2-dimethyl-N-(pyridin-2-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide has a molecular weight of 366.47 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(pyridin-2-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide is sourced from PubChem (CID 108963447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).