2,2-dimethyl-N-[(E)-3-[(6-methyl-2-pyridinyl)amino]-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]propanamide

C23H29N3O2 — CID 18859946

IUPAC2,2-dimethyl-N-[(E)-3-[(6-methyl-2-pyridinyl)amino]-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]propanamide
SMILESCc1cccc(NC(=O)/C(=C\c2ccc(C(C)C)cc2)NC(=O)C(C)(C)C)n1
InChIInChI=1S/C23H29N3O2/c1-15(2)18-12-10-17(11-13-18)14-19(25-22(28)23(4,5)6)21(27)26-20-9-7-8-16(3)24-20/h7-15H,1-6H3,(H,25,28)(H,24,26,27)/b19-14+
InChIKeyWXXNDQAHFCTUOI-XMHGGMMESA-N
MW379.50 g/mol
LogP4.66
Rot. Bonds5

About 2,2-dimethyl-N-[(E)-3-[(6-methyl-2-pyridinyl)amino]-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]propanamide

2,2-dimethyl-N-[(E)-3-[(6-methyl-2-pyridinyl)amino]-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]propanamide (PubChem CID 18859946) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(E)-3-[(6-methyl-2-pyridinyl)amino]-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(E)-3-[(6-methyl-2-pyridinyl)amino]-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]propanamide
PubChem CID18859946
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2,2-dimethyl-N-[(E)-3-[(6-methyl-2-pyridinyl)amino]-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]propanamide
SMILESCc1cccc(NC(=O)/C(=C\c2ccc(C(C)C)cc2)NC(=O)C(C)(C)C)n1
InChIInChI=1S/C23H29N3O2/c1-15(2)18-12-10-17(11-13-18)14-19(25-22(28)23(4,5)6)21(27)26-20-9-7-8-16(3)24-20/h7-15H,1-6H3,(H,25,28)(H,24,26,27)/b19-14+
InChIKeyWXXNDQAHFCTUOI-XMHGGMMESA-N
XLogP4.66
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)amino]-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide
CID 18859858
2,2-dimethyl-N-[(E)-3-(2-nitroanilino)-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]propanamide
CID 18859919
N-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5059127
1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea
CID 6465275
(E)-3-(4-tert-butylphenyl)-2-cyano-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 948947
N-[(E)-1-(4-methoxyphenyl)-3-[(4-methyl-2-pyridinyl)amino]-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide
CID 18859872
2,2-dimethyl-N-[(E)-3-oxo-1-phenyl-3-(propan-2-ylamino)prop-1-en-2-yl]propanamide
CID 18859830
2-[(4-propan-2-ylphenyl)methylidene]-N,N'-dipyridin-2-ylpropanediamide
CID 11372587
2,2-dimethyl-N-[(E)-3-(naphthalen-1-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]propanamide
CID 18859812
2-cyano-3-(4-methylphenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 3336662
(E)-N-(6-methyl-2-pyridinyl)-2,3-diphenylprop-2-enamide
CID 889937
2-amino-N-(6-methyl-2-pyridinyl)propanamide
CID 60731757

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(E)-3-[(6-methyl-2-pyridinyl)amino]-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(E)-3-[(6-methyl-2-pyridinyl)amino]-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]propanamide (CID 18859946) is 2,2-dimethyl-N-[(E)-3-[(6-methyl-2-pyridinyl)amino]-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(E)-3-[(6-methyl-2-pyridinyl)amino]-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(E)-3-[(6-methyl-2-pyridinyl)amino]-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]propanamide is Cc1cccc(NC(=O)/C(=C\c2ccc(C(C)C)cc2)NC(=O)C(C)(C)C)n1.
What is the InChIKey of 2,2-dimethyl-N-[(E)-3-[(6-methyl-2-pyridinyl)amino]-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]propanamide?
The InChIKey is WXXNDQAHFCTUOI-XMHGGMMESA-N. The full InChI is InChI=1S/C23H29N3O2/c1-15(2)18-12-10-17(11-13-18)14-19(25-22(28)23(4,5)6)21(27)26-20-9-7-8-16(3)24-20/h7-15H,1-6H3,(H,25,28)(H,24,26,27)/b19-14+.
What are the key properties of 2,2-dimethyl-N-[(E)-3-[(6-methyl-2-pyridinyl)amino]-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]propanamide?
2,2-dimethyl-N-[(E)-3-[(6-methyl-2-pyridinyl)amino]-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]propanamide has a molecular weight of 379.50 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(E)-3-[(6-methyl-2-pyridinyl)amino]-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]propanamide is sourced from PubChem (CID 18859946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).