N,N'-bis(2-methylphenyl)-2-[(pyridin-2-ylmethylamino)methylidene]propanediamide

C24H24N4O2 — CID 21236262

IUPACN,N'-bis(2-methylphenyl)-2-[(pyridin-2-ylmethylamino)methylidene]propanediamide
SMILESCc1ccccc1NC(=O)C(=CNCc1ccccn1)C(=O)Nc1ccccc1C
InChIInChI=1S/C24H24N4O2/c1-17-9-3-5-12-21(17)27-23(29)20(16-25-15-19-11-7-8-14-26-19)24(30)28-22-13-6-4-10-18(22)2/h3-14,16,25H,15H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyKZYXRZGXFIZPRF-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.95
Rot. Bonds7

About N,N'-bis(2-methylphenyl)-2-[(pyridin-2-ylmethylamino)methylidene]propanediamide

N,N'-bis(2-methylphenyl)-2-[(pyridin-2-ylmethylamino)methylidene]propanediamide (PubChem CID 21236262) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N,N'-bis(2-methylphenyl)-2-[(pyridin-2-ylmethylamino)methylidene]propanediamide.

Molecular Properties

Compound NameN,N'-bis(2-methylphenyl)-2-[(pyridin-2-ylmethylamino)methylidene]propanediamide
PubChem CID21236262
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN,N'-bis(2-methylphenyl)-2-[(pyridin-2-ylmethylamino)methylidene]propanediamide
SMILESCc1ccccc1NC(=O)C(=CNCc1ccccn1)C(=O)Nc1ccccc1C
InChIInChI=1S/C24H24N4O2/c1-17-9-3-5-12-21(17)27-23(29)20(16-25-15-19-11-7-8-14-26-19)24(30)28-22-13-6-4-10-18(22)2/h3-14,16,25H,15H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyKZYXRZGXFIZPRF-UHFFFAOYSA-N
XLogP3.95
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947490
N,N'-bis(2-methylphenyl)-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]propanediamide
CID 55769173
ethyl (E)-2-[(2-methylphenyl)carbamoyl]-3-(pyridin-2-ylamino)prop-2-enoate
CID 3075171
(Z)-2-cyano-N-(5-hydroxynaphthalen-1-yl)-3-(pyridin-2-ylmethylamino)prop-2-enamide
CID 108842938
ethane;N-(pyridin-2-ylmethyl)formamide
CID 144535996
2-(4-fluorophenyl)-N-(2-methylphenyl)-3-pyridin-2-ylpropanamide
CID 110296341
N'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 86919838
N-(2,3-dimethylphenyl)-2-pyridin-2-ylacetamide
CID 110696972
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
ethyl 2-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate
CID 108501782
N-(2,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999125
1-(2-chloro-6-methylphenyl)-3-(pyridin-2-ylmethyl)urea
CID 134086734

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-methylphenyl)-2-[(pyridin-2-ylmethylamino)methylidene]propanediamide?
The IUPAC name of N,N'-bis(2-methylphenyl)-2-[(pyridin-2-ylmethylamino)methylidene]propanediamide (CID 21236262) is N,N'-bis(2-methylphenyl)-2-[(pyridin-2-ylmethylamino)methylidene]propanediamide.
What is the SMILES notation for N,N'-bis(2-methylphenyl)-2-[(pyridin-2-ylmethylamino)methylidene]propanediamide?
The canonical SMILES for N,N'-bis(2-methylphenyl)-2-[(pyridin-2-ylmethylamino)methylidene]propanediamide is Cc1ccccc1NC(=O)C(=CNCc1ccccn1)C(=O)Nc1ccccc1C.
What is the InChIKey of N,N'-bis(2-methylphenyl)-2-[(pyridin-2-ylmethylamino)methylidene]propanediamide?
The InChIKey is KZYXRZGXFIZPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-17-9-3-5-12-21(17)27-23(29)20(16-25-15-19-11-7-8-14-26-19)24(30)28-22-13-6-4-10-18(22)2/h3-14,16,25H,15H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N,N'-bis(2-methylphenyl)-2-[(pyridin-2-ylmethylamino)methylidene]propanediamide?
N,N'-bis(2-methylphenyl)-2-[(pyridin-2-ylmethylamino)methylidene]propanediamide has a molecular weight of 400.48 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-methylphenyl)-2-[(pyridin-2-ylmethylamino)methylidene]propanediamide is sourced from PubChem (CID 21236262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).