2-N-methyl-6-(1-phenylethyl)-4-N-propylpyridine-2,4-dicarboxamide;N-[(Z)-prop-1-enyl]propan-2-imine

C25H34N4O2 — CID 142417875

IUPAC2-N-methyl-6-(1-phenylethyl)-4-N-propylpyridine-2,4-dicarboxamide;N-[(Z)-prop-1-enyl]propan-2-imine
SMILESC/C=C\N=C(C)C.CCCNC(=O)c1cc(C(=O)NC)nc(C(C)c2ccccc2)c1
InChIInChI=1S/C19H23N3O2.C6H11N/c1-4-10-21-18(23)15-11-16(22-17(12-15)19(24)20-3)13(2)14-8-6-5-7-9-14;1-4-5-7-6(2)3/h5-9,11-13H,4,10H2,1-3H3,(H,20,24)(H,21,23);4-5H,1-3H3/b;5-4-
InChIKeyPYSRYAGPWJXAQJ-GUHKXDMSSA-N
MW422.57 g/mol
LogP4.73
Rot. Bonds7

About 2-N-methyl-6-(1-phenylethyl)-4-N-propylpyridine-2,4-dicarboxamide;N-[(Z)-prop-1-enyl]propan-2-imine

2-N-methyl-6-(1-phenylethyl)-4-N-propylpyridine-2,4-dicarboxamide;N-[(Z)-prop-1-enyl]propan-2-imine (PubChem CID 142417875) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2-N-methyl-6-(1-phenylethyl)-4-N-propylpyridine-2,4-dicarboxamide;N-[(Z)-prop-1-enyl]propan-2-imine.

Molecular Properties

Compound Name2-N-methyl-6-(1-phenylethyl)-4-N-propylpyridine-2,4-dicarboxamide;N-[(Z)-prop-1-enyl]propan-2-imine
PubChem CID142417875
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name2-N-methyl-6-(1-phenylethyl)-4-N-propylpyridine-2,4-dicarboxamide;N-[(Z)-prop-1-enyl]propan-2-imine
SMILESC/C=C\N=C(C)C.CCCNC(=O)c1cc(C(=O)NC)nc(C(C)c2ccccc2)c1
InChIInChI=1S/C19H23N3O2.C6H11N/c1-4-10-21-18(23)15-11-16(22-17(12-15)19(24)20-3)13(2)14-8-6-5-7-9-14;1-4-5-7-6(2)3/h5-9,11-13H,4,10H2,1-3H3,(H,20,24)(H,21,23);4-5H,1-3H3/b;5-4-
InChIKeyPYSRYAGPWJXAQJ-GUHKXDMSSA-N
XLogP4.73
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-N-methyl-4-N-[2-[(2S)-morpholin-2-yl]ethyl]-6-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 131997225
4-formyl-N-methyl-6-(1-phenylethyl)pyridine-2-carboxamide
CID 131997086
4-N-[3-(1,3-dioxan-2-yl)propyl]-2-N-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide;isoindole-1,3-dione
CID 145379851
2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1R)-1-phenylethyl]pyridine-2,4-dicarboxamide
CID 131997330
tert-butyl 4,4-difluoro-3-[2-[[2-(methylcarbamoyl)-6-[(1S)-1-phenylethyl]pyridine-4-carbonyl]amino]ethyl]piperidine-1-carboxylate
CID 138557146
N-methyl-6-[(1S)-1-phenylethyl]-4-[2-(1H-pyrazol-4-yl)acetyl]pyridine-2-carboxamide
CID 157281845
N-methyl-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
CID 149474637
N-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
CID 159053138
N-methyl-4-[4-(1,2-oxazol-4-yl)butanoyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
CID 161310396
tert-butyl 2-[hydroxy(methylamino)methyl]-6-[(1S)-1-[3-[2-methyl-2-[2-(methylcarbamoyl)-6-[(1R)-1-phenylethyl]pyridine-4-carbonyl]oxypropyl]phenyl]ethyl]pyridine-4-carboxylate
CID 155238212
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
N-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1R)-1-phenylethyl]pyridine-2-carboxamide
CID 158532323

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-(1-phenylethyl)-4-N-propylpyridine-2,4-dicarboxamide;N-[(Z)-prop-1-enyl]propan-2-imine?
The IUPAC name of 2-N-methyl-6-(1-phenylethyl)-4-N-propylpyridine-2,4-dicarboxamide;N-[(Z)-prop-1-enyl]propan-2-imine (CID 142417875) is 2-N-methyl-6-(1-phenylethyl)-4-N-propylpyridine-2,4-dicarboxamide;N-[(Z)-prop-1-enyl]propan-2-imine.
What is the SMILES notation for 2-N-methyl-6-(1-phenylethyl)-4-N-propylpyridine-2,4-dicarboxamide;N-[(Z)-prop-1-enyl]propan-2-imine?
The canonical SMILES for 2-N-methyl-6-(1-phenylethyl)-4-N-propylpyridine-2,4-dicarboxamide;N-[(Z)-prop-1-enyl]propan-2-imine is C/C=C\N=C(C)C.CCCNC(=O)c1cc(C(=O)NC)nc(C(C)c2ccccc2)c1.
What is the InChIKey of 2-N-methyl-6-(1-phenylethyl)-4-N-propylpyridine-2,4-dicarboxamide;N-[(Z)-prop-1-enyl]propan-2-imine?
The InChIKey is PYSRYAGPWJXAQJ-GUHKXDMSSA-N. The full InChI is InChI=1S/C19H23N3O2.C6H11N/c1-4-10-21-18(23)15-11-16(22-17(12-15)19(24)20-3)13(2)14-8-6-5-7-9-14;1-4-5-7-6(2)3/h5-9,11-13H,4,10H2,1-3H3,(H,20,24)(H,21,23);4-5H,1-3H3/b;5-4-.
What are the key properties of 2-N-methyl-6-(1-phenylethyl)-4-N-propylpyridine-2,4-dicarboxamide;N-[(Z)-prop-1-enyl]propan-2-imine?
2-N-methyl-6-(1-phenylethyl)-4-N-propylpyridine-2,4-dicarboxamide;N-[(Z)-prop-1-enyl]propan-2-imine has a molecular weight of 422.57 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-(1-phenylethyl)-4-N-propylpyridine-2,4-dicarboxamide;N-[(Z)-prop-1-enyl]propan-2-imine is sourced from PubChem (CID 142417875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).