N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]pyridine-3-carboxamide

C19H21N3O — CID 5060997

IUPACN-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]pyridine-3-carboxamide
SMILESCC(C=NNC(=O)c1cccnc1)=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C19H21N3O/c1-14(2)17-8-6-16(7-9-17)11-15(3)12-21-22-19(23)18-5-4-10-20-13-18/h4-14H,1-3H3,(H,22,23)
InChIKeyLORLVGQOFBOXFV-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.02
Rot. Bonds5

About N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]pyridine-3-carboxamide

N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]pyridine-3-carboxamide (PubChem CID 5060997) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]pyridine-3-carboxamide
PubChem CID5060997
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]pyridine-3-carboxamide
SMILESCC(C=NNC(=O)c1cccnc1)=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C19H21N3O/c1-14(2)17-8-6-16(7-9-17)11-15(3)12-21-22-19(23)18-5-4-10-20-13-18/h4-14H,1-3H3,(H,22,23)
InChIKeyLORLVGQOFBOXFV-UHFFFAOYSA-N
XLogP4.02
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[(Z)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]pyrazole-3-carboxamide
CID 6391064
2-[4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid
CID 44714938
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
CID 6869295
4-bromo-2-hydroxy-N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]benzamide
CID 44723940
N-[3-[2-(4-propan-2-ylphenoxy)propanoylamino]propyl]pyridine-3-carboxamide
CID 108926615
N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide
CID 5399469
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride
CID 119526338
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 4175979
N-(prop-2-enylideneamino)pyridine-3-carboxamide
CID 4591479
4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 51060496
3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 916412

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]pyridine-3-carboxamide?
The IUPAC name of N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]pyridine-3-carboxamide (CID 5060997) is N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]pyridine-3-carboxamide?
The canonical SMILES for N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]pyridine-3-carboxamide is CC(C=NNC(=O)c1cccnc1)=Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]pyridine-3-carboxamide?
The InChIKey is LORLVGQOFBOXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14(2)17-8-6-16(7-9-17)11-15(3)12-21-22-19(23)18-5-4-10-20-13-18/h4-14H,1-3H3,(H,22,23).
What are the key properties of N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]pyridine-3-carboxamide?
N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]pyridine-3-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]pyridine-3-carboxamide is sourced from PubChem (CID 5060997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).